Other peptides

IUPAC Name: (4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-34-amino-22-(4-aminobutyl)-10-(3-amino-3-oxopropyl)-13,19-bis[3-(diaminomethylideneamino)propyl]-25-(1-hydroxyethyl)-28-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-31-(phenylmethyl)-7-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carboxylic acid

SMILES: NCCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC1=O)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)C(C)C)C(=O)O)[C@H](O)C

InChIKey: JOEHPBQVSCDCHE-BKGQOYFSSA-N

InChI: InChI=1S/C55H93N19O14S2/c1-28(2)23-37-50(84)74-43(30(5)75)52(86)69-35(15-9-10-20-56)47(81)67-33(16-11-21-63-54(59)60)45(79)65-25-41(77)66-34(17-12-22-64-55(61)62)46(80)68-36(18-19-40(58)76)48(82)73-42(29(3)4)51(85)72-39(53(87)88)27-90-89-26-32(57)44(78)70-38(49(83)71-37)24-31-13-7-6-8-14-31/h6-8,13-14,28-30,32-39,42-43,75H,9-12,15-27,56-57H2,1-5H3,(H2,58,76)(H,65,79)(H,66,77)(H,67,81)(H,68,80)(H,69,86)(H,70,78)(H,71,83)(H,72,85)(H,73,82)(H,74,84)(H,87,88)(H4,59,60,63)(H4,61,62,64)/t30-,32+,33+,34+,35+,36+,37+,38+,39+,42+,43+/m1/s1

SMILES: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)Cc1c[nH]c2c1cccc2)Cc1ccccc1)CCC(=O)O)CCC(=O)N)CCCNC(=N)N)CC(C)C)C(C)C)CCCNC(=N)N)CCCCN)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N)CCCNC(=N)N)CCCCN)CCCCN)CCCNC(=N)N)CCCNC(=N)N)CCC(=O)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CO)CCCNC(=N)N)CCC(=O)O)CCC(=O)O)CCSC)CC(C)C)CCCNC(=N)N

InChIKey: UDMRTOJWVGSXRR-OMVNHVILSA-N

InChI: InChI=1S/C190H323N71O45S/c1-100(2)89-132(170(295)244-116(43-19-23-74-193)155(280)243-125(54-34-85-227-190(216)217)169(294)258-148(103(7)8)177(302)256-133(90-101(3)4)171(296)245-122(51-31-82-224-187(210)211)160(285)248-128(62-67-141(197)265)166(291)249-129(64-69-146(271)272)167(292)254-134(93-105-37-13-12-14-38-105)172(297)255-135(173(298)259-149(104(9)10)180(305)306)94-107-95-228-111-40-16-15-39-109(107)111)253-163(288)117(44-20-24-75-194)238-161(286)124(53-33-84-226-189(214)215)251-176(301)139-56-36-87-261(139)179(304)136(91-102(5)6)257-168(293)130(71-88-307-11)250-164(289)126(63-68-145(269)270)233-143(267)98-231-175(300)138-55-35-86-260(138)178(303)131(65-70-147(273)274)252-162(287)123(52-32-83-225-188(212)213)246-174(299)137(99-262)234-144(268)97-230-151(276)112(45-25-76-218-181(198)199)235-156(281)118(47-27-78-220-183(202)203)240-158(283)120(49-29-80-222-185(206)207)242-165(290)127(61-66-140(196)264)247-159(284)121(50-30-81-223-186(208)209)241-157(282)119(48-28-79-221-184(204)205)239-154(279)115(42-18-22-73-192)237-153(278)114(41-17-21-72-191)236-152(277)113(46-26-77-219-182(200)201)232-142(266)96-229-150(275)110(195)92-106-57-59-108(263)60-58-106/h12-16,37-40,57-60,95,100-104,110,112-139,148-149,228,262-263H,17-36,41-56,61-94,96-99,191-195H2,1-11H3,(H2,196,264)(H2,197,265)(H,229,275)(H,230,276)(H,231,300)(H,232,266)(H,233,267)(H,234,268)(H,235,281)(H,236,277)(H,237,278)(H,238,286)(H,239,279)(H,240,283)(H,241,282)(H,242,290)(H,243,280)(H,244,295)(H,245,296)(H,246,299)(H,247,284)(H,248,285)(H,249,291)(H,250,289)(H,251,301)(H,252,287)(H,253,288)(H,254,292)(H,255,297)(H,256,302)(H,257,293)(H,258,294)(H,259,298)(H,269,270)(H,271,272)(H,273,274)(H,305,306)(H4,198,199,218)(H4,200,201,219)(H4,202,203,220)(H4,204,205,221)(H4,206,207,222)(H4,208,209,223)(H4,210,211,224)(H4,212,213,225)(H4,214,215,226)(H4,216,217,227)/t110-,112-,113-,114-,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-,148-,149-/m0/s1