2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)-(9-imidazol-1-ylnonanoyl)amino]-3-methyl-butanoic acid

Systemtic Name: 2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)-(9-imidazol-1-ylnonanoyl)amino]-3-methyl-butanoic acid Openeye Name: 2-[(2-amino-4-hydroxy-4-oxo-butanoyl)-(9-imidazol-1-ylnonanoyl)amino]-3-methyl-butanoic acid CAS Name: 2-[(2-amino-4-hydroxy-1,4-dioxobutyl)-[9-(1-imidazolyl)-1-oxononyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(2-amino-4-hydroxy-4-oxobutanoyl)-(9-imidazol-1-ylnonanoyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(2-amino-4-hydroxy-4-keto-butanoyl)-(9-imidazol-1-ylnonanoyl)amino]-3-methyl-butyric acid Formula: C21H34N4O6 MolecularWeight: 438.51786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(C(=O)CCCCCCCCN1C=CN=C1)C(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)O)N(C(=O)CCCCCCCCN1C=CN=C1)C(=O)C(CC(=O)O)N

InChI

InChI=1S/C21H34N4O6/c1-15(2)19(21(30)31)25(20(29)16(22)13-18(27)28)17(26)9-7-5-3-4-6-8-11-24-12-10-23-14-24/h10,12,14-16,19H,3-9,11,13,22H2,1-2H3,(H,27,28)(H,30,31)