2-[[2-[[2-[[5-azanyl-2-[[6-azanyl-2-[(2-azanyl-3-oxidanyl-butanoyl)amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-[[2-[[5-azanyl-2-[[6-azanyl-2-[(2-azanyl-3-oxidanyl-butanoyl)amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-[[2-[[5-amino-2-[[6-amino-2-[(2-amino-3-hydroxy-butanoyl)amino]hexanoyl]amino]-5-oxo-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-4-methyl-pentanoyl]amino]pentanedioic acid CAS Name: 2-[[2-[[2-[[5-amino-2-[[6-amino-2-[(2-amino-3-hydroxy-1-oxobutyl)amino]-1-oxohexyl]amino]-1,5-dioxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-4-methyl-1-oxopentyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[[2-[[5-amino-2-[[6-amino-2-[(2-amino-3-hydroxybutanoyl)amino]hexanoyl]amino]-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-[[2-[[5-amino-2-[[6-amino-2-[(2-amino-3-hydroxy-butanoyl)amino]hexanoyl]amino]-5-keto-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-4-methyl-pentanoyl]amino]glutaric acid Formula: C31H54N8O13 MolecularWeight: 746.80626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H54N8O13/c1-15(2)14-21(29(49)38-20(31(51)52)9-12-24(44)45)39-28(48)19(8-11-23(42)43)36-27(47)18(7-10-22(33)41)35-26(46)17(6-4-5-13-32)37-30(50)25(34)16(3)40/h15-21,25,40H,4-14,32,34H2,1-3H3,(H2,33,41)(H,35,46)(H,36,47)(H,37,50)(H,38,49)(H,39,48)(H,42,43)(H,44,45)(H,51,52)