Vsfstkgatyityvnflne

Structural Information

Molecular Formula

C₁₀₀H₁₄₈N₂₂O₃₁

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C100H148N22O31/c1-13-51(8)79(96(148)122-82(55(12)127)99(151)113-67(41-58-27-31-60(128)32-28-58)90(142)118-78(50(6)7)95(147)115-70(44-74(103)131)89(141)110-65(39-56-22-16-14-17-23-56)86(138)109-64(38-48(2)3)85(137)112-69(43-73(102)130)88(140)108-63(100(152)153)35-36-76(133)134)119-91(143)68(42-59-29-33-61(129)34-30-59)114-98(150)80(53(10)125)120-83(135)52(9)106-75(132)45-105-84(136)62(26-20-21-37-101)107-97(149)81(54(11)126)121-93(145)72(47-124)116-87(139)66(40-57-24-18-15-19-25-57)111-92(144)71(46-123)117-94(146)77(104)49(4)5/h14-19,22-25,27-34,48-55,62-72,77-82,123-129H,13,20-21,26,35-47,101,104H2,1-12H3,(H2,102,130)(H2,103,131)(H,105,136)(H,106,132)(H,107,149)(H,108,140)(H,109,138)(H,110,141)(H,111,144)(H,112,137)(H,113,151)(H,114,150)(H,115,147)(H,116,139)(H,117,146)(H,118,142)(H,119,143)(H,120,135)(H,121,145)(H,122,148)(H,133,134)(H,152,153)/t51-,52-,53+,54+,55+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,77-,78-,79-,80-,81-,82-/m0/s1

InChIKey

UDAQMGKKRDJHDF-QCBFQPQKSA-N

Compound name

(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]pentanedioic acid

Related CIDs

• CID 16130224