4-azanyl-2-(3-imidazol-1-ylhexanoylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-(3-imidazol-1-ylhexanoylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-(3-imidazol-1-ylhexanoylamino)-4-oxo-butanoic acid CAS Name: 4-amino-2-[[3-(1-imidazolyl)-1-oxohexyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-(3-imidazol-1-ylhexanoylamino)-4-oxobutanoic acid Traditional Name: 4-amino-2-(3-imidazol-1-ylhexanoylamino)-4-keto-butyric acid Formula: C13H20N4O4 MolecularWeight: 296.3223

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)NC(CC(=O)N)C(=O)O)N1C=CN=C1

Isomeric SMILES

CCCC(CC(=O)NC(CC(=O)N)C(=O)O)N1C=CN=C1

InChI

InChI=1S/C13H20N4O4/c1-2-3-9(17-5-4-15-8-17)6-12(19)16-10(13(20)21)7-11(14)18/h4-5,8-10H,2-3,6-7H2,1H3,(H2,14,18)(H,16,19)(H,20,21)