Other peptides

SMILES: CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(C)C

InChIKey: UQSHHVABFISEOB-GPBSWCBHSA-N

InChI: InChI=1S/C172H278N52O51S2/c1-78(2)56-105(196-124(237)70-188-138(243)86(17)193-148(253)106(57-79(3)4)203-146(251)102(44-35-53-185-171(180)181)198-151(256)109(62-97-67-184-77-191-97)209-168(273)136(93(24)231)223-165(270)131(84(13)14)217-160(265)118(76-277)214-169(274)134(91(22)229)220-141(246)89(20)195-166(271)133(90(21)228)221-156(261)113(66-127(240)241)208-159(264)117(75-276)213-140(245)87(18)192-142(247)99(175)59-96-47-49-98(232)50-48-96)149(254)204-107(58-80(5)6)150(255)212-116(74-227)158(263)200-103(45-36-54-186-172(182)183)147(252)211-114(72-225)143(248)189-68-123(236)187-69-126(239)215-129(82(9)10)164(269)218-130(83(11)12)163(268)201-101(43-32-34-52-174)145(250)206-110(63-120(176)233)153(258)207-111(64-121(177)234)152(257)205-108(61-95-40-29-26-30-41-95)154(259)219-132(85(15)16)170(275)224-55-37-46-119(224)161(266)222-135(92(23)230)167(272)210-112(65-122(178)235)155(260)216-128(81(7)8)162(267)190-71-125(238)197-115(73-226)157(262)199-100(42-31-33-51-173)144(249)194-88(19)139(244)202-104(137(179)242)60-94-38-27-25-28-39-94/h25-30,38-41,47-50,67,77-93,99-119,128-136,225-232,276-277H,31-37,42-46,51-66,68-76,173-175H2,1-24H3,(H2,176,233)(H2,177,234)(H2,178,235)(H2,179,242)(H,184,191)(H,187,236)(H,188,243)(H,189,248)(H,190,267)(H,192,247)(H,193,253)(H,194,249)(H,195,271)(H,196,237)(H,197,238)(H,198,256)(H,199,262)(H,200,263)(H,201,268)(H,202,244)(H,203,251)(H,204,254)(H,205,257)(H,206,250)(H,207,258)(H,208,264)(H,209,273)(H,210,272)(H,211,252)(H,212,255)(H,213,245)(H,214,274)(H,215,239)(H,216,260)(H,217,265)(H,218,269)(H,219,259)(H,220,246)(H,221,261)(H,222,266)(H,223,270)(H,240,241)(H4,180,181,185)(H4,182,183,186)/t86-,87-,88-,89-,90+,91+,92+,93+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,128-,129-,130-,131-,132-,133-,134-,135-,136-/m0/s1

Cas#: 143120-27-8        Compound CID:  164450

IUPAC Name: (3R,6S,12S,15R)-6-(carboxymethyl)-12-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-1,5,8,11,14,17-hexaoxo-1\u03bb4-thia-4,7,10,13,16-pentazacyclooctadecane-3-carboxylic acid

SMILES: C1C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)CS1=O)CC2=CC=C(C=C2)O)CCCN=C(N)N)CC(=O)O)C(=O)O

InChIKey: DMXRDQJVBMEHPP-OREKCURGSA-N

InChI: InChI=1S/C26H36N8O11S/c27-26(28)29-7-1-2-15-22(40)30-10-19(36)31-17(9-21(38)39)24(42)34-18(25(43)44)11-46(45)12-20(37)32-16(23(41)33-15)8-13-3-5-14(35)6-4-13/h3-6,15-18,35H,1-2,7-12H2,(H,30,40)(H,31,36)(H,32,37)(H,33,41)(H,34,42)(H,38,39)(H,43,44)(H4,27,28,29)/t15-,16+,17-,18-,46?/m0/s1