Amino Acids

Cas#: 100040-31-1        Compound CID:  131954558

Formula:  C₂₂₆H₃₃₈N₆₀O₆₆S        Molecular Weight: 4983.53

IUPAC Name: 5-amino-2-[[2-[[2-[[4-amino-2-[[2-[[6-amino-2-[[2-[[2-[[4-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[6-amino-2-[[5-amino-2-[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[[5-amino-2-[[5-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-4-carboxybutanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]propanoylamino]-4-methylsulfanylbutanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]-5-oxopentanoyl]amino]hexanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid

SMILES: CCC(C)C(C(=O)NC(CC1=CNC=N1)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NC(CCCCN)C(=O)NC(CC7=CNC=N7)C(=O)NC(CC(=O)N)C(=O)NC(C(C)CC)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CCSC)NC(=O)C(C)NC(=O)C(C(C)CC)NC(=O)C(CO)NC(=O)C(CC8=CC=C(C=C8)O)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)CC)NC(=O)C(CC9=CC=CC=C9)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CC1=CC=C(C=C1)O)N

InChIKey: MGXWVYUBJRZYPE-UHFFFAOYSA-N

InChI: InChI=1S/C226H338N60O66S/c1-21-113(11)181(285-218(343)165(107-288)278-203(328)150(88-125-60-64-131(292)65-61-125)264-212(337)163(99-179(310)311)274-217(342)164(106-287)279-222(347)183(115(13)23-3)283-215(340)152(87-123-47-29-26-30-48-123)275-224(349)185(120(18)289)280-174(301)105-245-192(317)142(70-75-175(302)303)252-187(312)117(15)248-190(315)134(232)85-124-58-62-130(291)63-59-124)220(345)250-119(17)189(314)254-146(76-82-353-20)199(324)272-160(96-176(304)305)210(335)258-141(57-39-44-81-231)200(325)282-182(114(12)22-2)221(346)276-156(92-129-103-241-109-247-129)206(331)260-144(67-72-167(234)294)197(322)259-145(68-73-168(235)295)198(323)271-161(97-177(306)307)211(336)265-151(86-122-45-27-25-28-46-122)214(339)281-180(112(9)10)219(344)277-158(94-171(238)298)209(334)266-154(90-127-101-243-136-52-34-32-50-133(127)136)205(330)263-149(84-111(7)8)202(327)262-148(83-110(5)6)201(326)249-118(16)188(313)253-143(66-71-166(233)293)196(321)255-137(53-35-40-77-227)191(316)244-104-173(300)251-138(54-36-41-78-228)193(318)256-139(55-37-42-79-229)195(320)269-157(93-170(237)297)208(333)273-162(98-178(308)309)213(338)267-153(89-126-100-242-135-51-33-31-49-132(126)135)204(329)257-140(56-38-43-80-230)194(319)268-155(91-128-102-240-108-246-128)207(332)270-159(95-172(239)299)216(341)284-184(116(14)24-4)223(348)286-186(121(19)290)225(350)261-147(226(351)352)69-74-169(236)296/h25-34,45-52,58-65,100-103,108-121,134,137-165,180-186,242-243,287-292H,21-24,35-44,53-57,66-99,104-107,227-232H2,1-20H3,(H2,233,293)(H2,234,294)(H2,235,295)(H2,236,296)(H2,237,297)(H2,238,298)(H2,239,299)(H,240,246)(H,241,247)(H,244,316)(H,245,317)(H,248,315)(H,249,326)(H,250,345)(H,251,300)(H,252,312)(H,253,313)(H,254,314)(H,255,321)(H,256,318)(H,257,329)(H,258,335)(H,259,322)(H,260,331)(H,261,350)(H,262,327)(H,263,330)(H,264,337)(H,265,336)(H,266,334)(H,267,338)(H,268,319)(H,269,320)(H,270,332)(H,271,323)(H,272,324)(H,273,333)(H,274,342)(H,275,349)(H,276,346)(H,277,344)(H,278,328)(H,279,347)(H,280,301)(H,281,339)(H,282,325)(H,283,340)(H,284,341)(H,285,343)(H,286,348)(H,302,303)(H,304,305)(H,306,307)(H,308,309)(H,310,311)(H,351,352)

Cas#: 118997-30-1        Compound CID:  126455957

Formula:  C₁₉₄H₂₉₅N₅₅O₅₇        Molecular Weight: 4309.75

IUPAC Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoic acid

SMILES: CCC(C)C(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)N2CCCC2C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CO)C(=O)N3CCCC3C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC6=CNC=N6)C(=O)NC(CC7=CC=C(C=C7)O)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC8=CC=C(C=C8)O)C(=O)N)NC(=O)C9CCCN9C(=O)C(CC1=CC=C(C=C1)O)N

InChIKey: YNXLOPYTAAFMTN-SBUIBGKBSA-N

InChI: InChI=1S/C194H295N55O57/c1-17-99(12)154(244-183(299)143-36-25-73-247(143)188(304)115(196)80-104-37-47-110(253)48-38-104)185(301)228-125(28-18-19-67-195)189(305)248-74-26-34-141(248)181(297)225-122(59-64-149(264)265)159(275)218-102(15)187(303)246-72-24-33-140(246)180(296)214-90-147(261)219-120(58-63-148(262)263)164(280)240-137(88-152(270)271)169(285)217-101(14)158(274)242-139(92-251)190(306)249-75-27-35-142(249)182(298)226-124(61-66-151(268)269)166(282)224-123(60-65-150(266)267)167(283)230-128(77-95(4)5)171(287)238-135(86-145(198)259)176(292)222-117(30-21-69-211-192(203)204)162(278)234-132(83-107-43-53-113(256)54-44-107)174(290)235-131(82-106-41-51-112(255)52-42-106)168(284)216-100(13)157(273)241-138(91-250)179(295)233-127(76-94(2)3)170(286)221-118(31-22-70-212-193(205)206)163(279)237-134(85-109-89-209-93-215-109)175(291)236-133(84-108-45-55-114(257)56-46-108)173(289)231-129(78-96(6)7)172(288)239-136(87-146(199)260)177(293)232-130(79-97(8)9)178(294)243-153(98(10)11)184(300)245-155(103(16)252)186(302)227-119(32-23-71-213-194(207)208)160(276)223-121(57-62-144(197)258)165(281)220-116(29-20-68-210-191(201)202)161(277)229-126(156(200)272)81-105-39-49-111(254)50-40-105/h37-56,89,93-103,115-143,153-155,250-257H,17-36,57-88,90-92,195-196H2,1-16H3,(H2,197,258)(H2,198,259)(H2,199,260)(H2,200,272)(H,209,215)(H,214,296)(H,216,284)(H,217,285)(H,218,275)(H,219,261)(H,220,281)(H,221,286)(H,222,292)(H,223,276)(H,224,282)(H,225,297)(H,226,298)(H,227,302)(H,228,301)(H,229,277)(H,230,283)(H,231,289)(H,232,293)(H,233,295)(H,234,278)(H,235,290)(H,236,291)(H,237,279)(H,238,287)(H,239,288)(H,240,280)(H,241,273)(H,242,274)(H,243,294)(H,244,299)(H,245,300)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H4,201,202,210)(H4,203,204,211)(H4,205,206,212)(H4,207,208,213)/t99-,100-,101-,102-,103+,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,153-,154-,155-/m0/s1