2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)-(10-imidazol-1-yldecanoyl)amino]-3-methyl-butanoic acid

Systemtic Name: 2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)-(10-imidazol-1-yldecanoyl)amino]-3-methyl-butanoic acid Openeye Name: 2-[(2-amino-4-hydroxy-4-oxo-butanoyl)-(10-imidazol-1-yldecanoyl)amino]-3-methyl-butanoic acid CAS Name: 2-[(2-amino-4-hydroxy-1,4-dioxobutyl)-[10-(1-imidazolyl)-1-oxodecyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(2-amino-4-hydroxy-4-oxobutanoyl)-(10-imidazol-1-yldecanoyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(2-amino-4-hydroxy-4-keto-butanoyl)-(10-imidazol-1-yldecanoyl)amino]-3-methyl-butyric acid Formula: C22H36N4O6 MolecularWeight: 452.54444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(C(=O)CCCCCCCCCN1C=CN=C1)C(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)O)N(C(=O)CCCCCCCCCN1C=CN=C1)C(=O)C(CC(=O)O)N

InChI

InChI=1S/C22H36N4O6/c1-16(2)20(22(31)32)26(21(30)17(23)14-19(28)29)18(27)10-8-6-4-3-5-7-9-12-25-13-11-24-15-25/h11,13,15-17,20H,3-10,12,14,23H2,1-2H3,(H,28,29)(H,31,32)