Chembl437239

Structural Information

Molecular Formula

C₉₃H₁₅₁N₂₃O₃₄

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C93H151N23O34/c1-17-45(13)73(115-87(143)58(33-65(97)123)108-89(145)71(43(9)10)113-82(138)54(25-28-68(126)127)103-84(140)56(31-42(7)8)101-66(124)36-99-79(135)61(38-117)110-85(141)59(34-69(128)129)107-80(136)52(23-26-63(95)121)102-77(133)51(94)29-40(3)4)91(147)114-72(44(11)12)90(146)116-75(48(16)119)92(148)109-60(35-70(130)131)86(142)111-62(39-118)88(144)104-53(24-27-64(96)122)81(137)106-57(32-49-19-21-50(120)22-20-49)83(139)100-47(15)76(132)105-55(30-41(5)6)78(134)98-37-67(125)112-74(93(149)150)46(14)18-2/h19-22,40-48,51-62,71-75,117-120H,17-18,23-39,94H2,1-16H3,(H2,95,121)(H2,96,122)(H2,97,123)(H,98,134)(H,99,135)(H,100,139)(H,101,124)(H,102,133)(H,103,140)(H,104,144)(H,105,132)(H,106,137)(H,107,136)(H,108,145)(H,109,148)(H,110,141)(H,111,142)(H,112,125)(H,113,138)(H,114,147)(H,115,143)(H,116,146)(H,126,127)(H,128,129)(H,130,131)(H,149,150)/t45-,46-,47-,48+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,71-,72-,73-,74-,75-/m0/s1

InChIKey

VKRZGTIWVBLAGS-OXDMTKIGSA-N

Compound name

(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 16186556