(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]pentanedioic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-1-oxopropyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]glutaric acid Formula: C31H56N8O12 MolecularWeight: 732.82274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(C(C)O)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N)O

InChI

InChI=1S/C31H56N8O12/c1-14(2)13-21(28(47)34-15(3)26(45)37-20(31(50)51)10-11-22(42)43)38-30(49)24(18(6)41)39-27(46)19(9-7-8-12-32)36-25(44)16(4)35-29(48)23(33)17(5)40/h14-21,23-24,40-41H,7-13,32-33H2,1-6H3,(H,34,47)(H,35,48)(H,36,44)(H,37,45)(H,38,49)(H,39,46)(H,42,43)(H,50,51)/t15-,16-,17+,18+,19-,20-,21-,23-,24-/m0/s1