Nh2-thr-thr-trp-glu-ala-trp-asp-arg-ala-ile-ala-glu-tyr-ala-ala-arg-ile-glu-ala-leu-ile-arg-ala-ala-gln-glu-gln-gln-glu-lys-asn-glu-ala-ala-leu-cooh

Structural Information

Molecular Formula

C₁₇₆H₂₇₅N₅₁O₅₇

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)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[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C176H275N51O57/c1-23-80(8)135(224-148(258)92(20)201-149(259)104(40-32-66-189-174(183)184)208-166(276)121(75-133(247)248)221-164(274)118(72-96-76-192-101-37-28-26-35-99(96)101)218-146(256)90(18)199-152(262)110(50-59-127(235)236)213-163(273)119(73-97-77-193-102-38-29-27-36-100(97)102)222-172(282)138(94(22)229)227-168(278)134(182)93(21)228)169(279)203-91(19)144(254)206-113(53-62-130(241)242)160(270)219-117(71-95-43-45-98(230)46-44-95)162(272)202-85(13)141(251)194-86(14)142(252)204-106(42-34-68-191-176(187)188)161(271)225-136(81(9)24-2)171(281)216-112(52-61-129(239)240)153(263)200-89(17)145(255)217-116(69-78(4)5)167(277)226-137(82(10)25-3)170(280)215-105(41-33-67-190-175(185)186)150(260)197-83(11)139(249)195-87(15)143(253)205-107(47-56-123(178)231)155(265)211-115(55-64-132(245)246)159(269)210-108(48-57-124(179)232)156(266)209-109(49-58-125(180)233)157(267)212-114(54-63-131(243)244)158(268)207-103(39-30-31-65-177)154(264)220-120(74-126(181)234)165(275)214-111(51-60-128(237)238)151(261)198-84(12)140(250)196-88(16)147(257)223-122(173(283)284)70-79(6)7/h26-29,35-38,43-46,76-94,103-122,134-138,192-193,228-230H,23-25,30-34,39-42,47-75,177,182H2,1-22H3,(H2,178,231)(H2,179,232)(H2,180,233)(H2,181,234)(H,194,251)(H,195,249)(H,196,250)(H,197,260)(H,198,261)(H,199,262)(H,200,263)(H,201,259)(H,202,272)(H,203,279)(H,204,252)(H,205,253)(H,206,254)(H,207,268)(H,208,276)(H,209,266)(H,210,269)(H,211,265)(H,212,267)(H,213,273)(H,214,275)(H,215,280)(H,216,281)(H,217,255)(H,218,256)(H,219,270)(H,220,264)(H,221,274)(H,222,282)(H,223,257)(H,224,258)(H,225,271)(H,226,277)(H,227,278)(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,283,284)(H4,183,184,189)(H4,185,186,190)(H4,187,188,191)/t80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93+,94+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,134-,135-,136-,137-,138-/m0/s1

InChIKey

KQEJKNRJWXLJFN-VBVDNCHASA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-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,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16134177