203716-10-3

Structural Information

Molecular Formula

C₁₃₄H₂₂₇N₃₅O₃₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)CN

InChI

InChI=1S/C134H227N35O32/c1-25-74(17)108(132(199)157-91(111(142)178)51-67(3)4)168-121(188)90(42-32-36-50-138)155-119(186)89(41-31-35-49-137)154-114(181)79(22)150-123(190)94(54-70(9)10)158-115(182)78(21)146-113(180)77(20)149-122(189)93(53-69(7)8)159-116(183)80(23)148-118(185)88(40-30-34-48-136)156-124(191)95(55-71(11)12)162-128(195)101(61-104(141)174)165-133(200)109(75(18)26-2)167-120(187)87(39-29-33-47-135)151-106(176)65-145-117(184)92(52-68(5)6)160-125(192)96(56-72(13)14)161-127(194)98(58-82-43-45-84(172)46-44-82)153-107(177)64-144-112(179)76(19)147-131(198)102(66-170)166-129(196)100(60-103(140)173)163-126(193)97(57-73(15)16)164-134(201)110(81(24)171)169-130(197)99(152-105(175)62-139)59-83-63-143-86-38-28-27-37-85(83)86/h27-28,37-38,43-46,63,67-81,87-102,108-110,143,170-172H,25-26,29-36,39-42,47-62,64-66,135-139H2,1-24H3,(H2,140,173)(H2,141,174)(H2,142,178)(H,144,179)(H,145,184)(H,146,180)(H,147,198)(H,148,185)(H,149,189)(H,150,190)(H,151,176)(H,152,175)(H,153,177)(H,154,181)(H,155,186)(H,156,191)(H,157,199)(H,158,182)(H,159,183)(H,160,192)(H,161,194)(H,162,195)(H,163,193)(H,164,201)(H,165,200)(H,166,196)(H,167,187)(H,168,188)(H,169,197)/t74-,75-,76-,77-,78-,79-,80-,81+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,108-,109-,110-/m0/s1

InChIKey

PBKWZFANFUTEPS-CWUSWOHSSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]butanediamide

Related CIDs

• CID 16134049