(phenylmethyl) 3-azanyl-4-[2-(1H-imidazol-5-yl)ethylamino]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) 3-azanyl-4-[2-(1H-imidazol-5-yl)ethylamino]-4-oxidanylidene-butanoate Openeye Name: benzyl 3-amino-4-[2-(1H-imidazol-5-yl)ethylamino]-4-oxo-butanoate CAS Name: 3-amino-4-[2-(1H-imidazol-5-yl)ethylamino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-amino-4-[2-(1H-imidazol-5-yl)ethylamino]-4-oxobutanoate Traditional Name: 3-amino-4-[2-(1H-imidazol-5-yl)ethylamino]-4-keto-butyric acid benzyl ester Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(C(=O)NCCC2=CN=CN2)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC(C(=O)NCCC2=CN=CN2)N

InChI

InChI=1S/C16H20N4O3/c17-14(16(22)19-7-6-13-9-18-11-20-13)8-15(21)23-10-12-4-2-1-3-5-12/h1-5,9,11,14H,6-8,10,17H2,(H,18,20)(H,19,22)