Nntrksihigpgrafyttgeiigdirqahc

Structural Information

Molecular Formula

C₁₄₀H₂₂₃N₄₇O₄₃S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C140H223N47O43S/c1-16-64(6)104(179-124(216)89(50-77-55-153-63-162-77)176-133(225)107(67(9)19-4)182-127(219)92(60-188)177-117(209)80(29-24-25-42-141)168-118(210)85(41-45-156-140(150)151)171-135(227)110(72(14)190)184-125(217)90(52-97(145)195)174-114(206)79(142)51-96(144)194)130(222)160-59-101(199)187-46-26-30-94(187)128(220)157-56-98(196)166-83(39-43-154-138(146)147)116(208)164-69(11)112(204)172-86(47-74-27-22-21-23-28-74)121(213)175-87(48-75-31-33-78(192)34-32-75)123(215)185-111(73(15)191)136(228)186-109(71(13)189)131(223)159-57-99(197)165-81(36-38-102(200)201)120(212)180-108(68(10)20-5)134(226)183-105(65(7)17-2)129(221)158-58-100(198)167-91(53-103(202)203)126(218)181-106(66(8)18-3)132(224)170-84(40-44-155-139(148)149)119(211)169-82(35-37-95(143)193)115(207)163-70(12)113(205)173-88(49-76-54-152-62-161-76)122(214)178-93(61-231)137(229)230/h21-23,27-28,31-34,54-55,62-73,79-94,104-111,188-192,231H,16-20,24-26,29-30,35-53,56-61,141-142H2,1-15H3,(H2,143,193)(H2,144,194)(H2,145,195)(H,152,161)(H,153,162)(H,157,220)(H,158,221)(H,159,223)(H,160,222)(H,163,207)(H,164,208)(H,165,197)(H,166,196)(H,167,198)(H,168,210)(H,169,211)(H,170,224)(H,171,227)(H,172,204)(H,173,205)(H,174,206)(H,175,213)(H,176,225)(H,177,209)(H,178,214)(H,179,216)(H,180,212)(H,181,218)(H,182,219)(H,183,226)(H,184,217)(H,185,215)(H,186,228)(H,200,201)(H,202,203)(H,229,230)(H4,146,147,154)(H4,148,149,155)(H4,150,151,156)/t64-,65-,66-,67-,68-,69-,70-,71+,72+,73+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,104-,105-,106-,107-,108-,109-,110-,111-/m0/s1

InChIKey

PZQNNNUDSPYRTE-ZSSOQULDSA-N

Compound name

(4S)-4-[[2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-4-carbamimidamidobutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-carbamimidamidobutanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-5-[[(2S,3S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carbamimidamido-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16186430