methyl N-[(E)-3-azanyl-3-oxidanylidene-2-[2-(phenylmethoxycarbonylamino)propanoylamino]prop-1-enyl]-N-methyl-carbamate

Systemtic Name: methyl N-[(E)-3-azanyl-3-oxidanylidene-2-[2-(phenylmethoxycarbonylamino)propanoylamino]prop-1-enyl]-N-methyl-carbamate Openeye Name: methyl N-[(E)-3-amino-2-[2-(benzyloxycarbonylamino)propanoylamino]-3-oxo-prop-1-enyl]-N-methyl-carbamate CAS Name: N-[(E)-3-amino-3-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]prop-1-enyl]-N-methylcarbamic acid methyl ester IUPAC Name: methyl N-[(E)-3-amino-3-oxo-2-[2-(phenylmethoxycarbonylamino)propanoylamino]prop-1-enyl]-N-methylcarbamate Traditional Name: N-[(E)-3-amino-2-[2-(benzyloxycarbonylamino)propanoylamino]-3-keto-prop-1-enyl]-N-methyl-carbamic acid methyl ester Formula: C17H22N4O6 MolecularWeight: 378.37978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=CN(C)C(=O)OC)C(=O)N)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C(=O)N/C(=C/N(C)C(=O)OC)/C(=O)N)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H22N4O6/c1-11(19-16(24)27-10-12-7-5-4-6-8-12)15(23)20-13(14(18)22)9-21(2)17(25)26-3/h4-9,11H,10H2,1-3H3,(H2,18,22)(H,19,24)(H,20,23)/b13-9+