Yvnflnelrvktkpegnshgipslrk

Structural Information

Molecular Formula

C₁₃₄H₂₁₈N₄₀O₃₈

SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CNC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC5=CC=C(C=C5)O)N

InChI

InChI=1S/C134H218N40O38/c1-14-72(12)107(131(210)174-51-27-36-97(174)126(205)168-95(65-176)124(203)162-87(53-68(4)5)117(196)153-80(33-24-48-147-133(142)143)112(191)159-85(132(211)212)32-20-23-47-137)169-102(183)63-150-111(190)90(57-76-61-146-66-151-76)164-123(202)94(64-175)167-120(199)91(58-98(139)179)152-101(182)62-149-110(189)82(41-43-103(184)185)156-125(204)96-35-26-50-173(96)130(209)84(31-19-22-46-136)158-129(208)108(73(13)177)172-115(194)79(30-18-21-45-135)157-127(206)106(71(10)11)171-114(193)81(34-25-49-148-134(144)145)154-116(195)86(52-67(2)3)160-113(192)83(42-44-104(186)187)155-121(200)92(59-99(140)180)165-118(197)88(54-69(6)7)161-119(198)89(56-74-28-16-15-17-29-74)163-122(201)93(60-100(141)181)166-128(207)105(70(8)9)170-109(188)78(138)55-75-37-39-77(178)40-38-75/h15-17,28-29,37-40,61,66-73,78-97,105-108,175-178H,14,18-27,30-36,41-60,62-65,135-138H2,1-13H3,(H2,139,179)(H2,140,180)(H2,141,181)(H,146,151)(H,149,189)(H,150,190)(H,152,182)(H,153,196)(H,154,195)(H,155,200)(H,156,204)(H,157,206)(H,158,208)(H,159,191)(H,160,192)(H,161,198)(H,162,203)(H,163,201)(H,164,202)(H,165,197)(H,166,207)(H,167,199)(H,168,205)(H,169,183)(H,170,188)(H,171,193)(H,172,194)(H,184,185)(H,186,187)(H,211,212)(H4,142,143,147)(H4,144,145,148)/t72-,73+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-/m0/s1

InChIKey

VDSHCUGLOXAISV-ASCZBIGOSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoic acid

Related CIDs

• CID 16130223