Acetyl-val-glu-trp-asn-asn-met-thr-trp-met-glu-trp-glu-arg-glu-ile-glu-asn-tyr-thr-lys-leu-ile-tyr-lys-ile-leu-glu-glu-ser-gln-glu-gln-nh2

Structural Information

Molecular Formula

C₁₈₉H₂₈₀N₄₆O₅₉S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)C

InChI

InChI=1S/C189H280N46O59S2/c1-18-93(10)152(232-170(276)124(58-68-150(261)262)211-158(264)115(40-31-73-200-189(198)199)206-162(268)118(52-62-144(249)250)213-174(280)131(80-101-86-201-109-35-24-21-32-106(101)109)222-164(270)120(54-64-146(253)254)210-168(274)125(69-74-295-16)215-175(281)133(82-103-88-203-111-37-26-23-34-108(103)111)229-188(294)156(97(14)238)234-171(277)126(70-75-296-17)216-177(283)134(83-140(194)244)226-179(285)136(85-142(196)246)225-176(282)132(81-102-87-202-110-36-25-22-33-107(102)110)223-165(271)122(56-66-148(257)258)218-183(289)151(92(8)9)204-98(15)239)184(290)219-123(57-67-149(259)260)166(272)224-135(84-141(195)245)178(284)221-130(79-100-43-47-105(241)48-44-100)181(287)235-155(96(13)237)187(293)217-113(38-27-29-71-190)159(265)220-128(77-91(6)7)180(286)233-154(95(12)20-3)186(292)228-129(78-99-41-45-104(240)46-42-99)173(279)207-114(39-28-30-72-191)169(275)231-153(94(11)19-2)185(291)227-127(76-90(4)5)172(278)212-119(53-63-145(251)252)163(269)209-121(55-65-147(255)256)167(273)230-137(89-236)182(288)214-116(50-60-139(193)243)161(267)208-117(51-61-143(247)248)160(266)205-112(157(197)263)49-59-138(192)242/h21-26,32-37,41-48,86-88,90-97,112-137,151-156,201-203,236-238,240-241H,18-20,27-31,38-40,49-85,89,190-191H2,1-17H3,(H2,192,242)(H2,193,243)(H2,194,244)(H2,195,245)(H2,196,246)(H2,197,263)(H,204,239)(H,205,266)(H,206,268)(H,207,279)(H,208,267)(H,209,269)(H,210,274)(H,211,264)(H,212,278)(H,213,280)(H,214,288)(H,215,281)(H,216,283)(H,217,293)(H,218,289)(H,219,290)(H,220,265)(H,221,284)(H,222,270)(H,223,271)(H,224,272)(H,225,282)(H,226,285)(H,227,291)(H,228,292)(H,229,294)(H,230,273)(H,231,275)(H,232,276)(H,233,286)(H,234,277)(H,235,287)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H4,198,199,200)/t93-,94-,95-,96+,97+,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-,151-,152-,153-,154-,155-,156-/m0/s1

InChIKey

NURRDFHARKKIGS-HEHNVODLSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16186562