[2-azanyl-3-(1H-imidazol-2-yl)-2-phenyl-propanoyl] 4-azanyl-4-oxidanylidene-butanoate

Systemtic Name: [2-azanyl-3-(1H-imidazol-2-yl)-2-phenyl-propanoyl] 4-azanyl-4-oxidanylidene-butanoate Openeye Name: [2-amino-3-(1H-imidazol-2-yl)-2-phenyl-propanoyl] 4-amino-4-oxo-butanoate CAS Name: 4-amino-4-oxobutanoic acid [2-amino-3-(1H-imidazol-2-yl)-1-oxo-2-phenylpropyl] ester IUPAC Name: [2-amino-3-(1H-imidazol-2-yl)-2-phenylpropanoyl] 4-amino-4-oxobutanoate Traditional Name: 4-amino-4-keto-butyric acid [2-amino-3-(1H-imidazol-2-yl)-2-phenyl-propanoyl] ester Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC2=NC=CN2)(C(=O)OC(=O)CCC(=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC2=NC=CN2)(C(=O)OC(=O)CCC(=O)N)N

InChI

InChI=1S/C16H18N4O4/c17-12(21)6-7-14(22)24-15(23)16(18,10-13-19-8-9-20-13)11-4-2-1-3-5-11/h1-5,8-9H,6-7,10,18H2,(H2,17,21)(H,19,20)