2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)-(8-imidazol-1-yloctanoyl)amino]-3-methyl-butanoic acid

Systemtic Name: 2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)-(8-imidazol-1-yloctanoyl)amino]-3-methyl-butanoic acid Openeye Name: 2-[(2-amino-4-hydroxy-4-oxo-butanoyl)-(8-imidazol-1-yloctanoyl)amino]-3-methyl-butanoic acid CAS Name: 2-[(2-amino-4-hydroxy-1,4-dioxobutyl)-[8-(1-imidazolyl)-1-oxooctyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(2-amino-4-hydroxy-4-oxobutanoyl)-(8-imidazol-1-yloctanoyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(2-amino-4-hydroxy-4-keto-butanoyl)-(8-imidazol-1-yloctanoyl)amino]-3-methyl-butyric acid Formula: C20H32N4O6 MolecularWeight: 424.49128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(C(=O)CCCCCCCN1C=CN=C1)C(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)O)N(C(=O)CCCCCCCN1C=CN=C1)C(=O)C(CC(=O)O)N

InChI

InChI=1S/C20H32N4O6/c1-14(2)18(20(29)30)24(19(28)15(21)12-17(26)27)16(25)8-6-4-3-5-7-10-23-11-9-22-13-23/h9,11,13-15,18H,3-8,10,12,21H2,1-2H3,(H,26,27)(H,29,30)