ethyl 2-[2-azanylethanoyl-(phenylmethyl)amino]-3-(3-carbamimidoylphenyl)-3-oxidanylidene-2-phenyl-propanoate

Systemtic Name: ethyl 2-[2-azanylethanoyl-(phenylmethyl)amino]-3-(3-carbamimidoylphenyl)-3-oxidanylidene-2-phenyl-propanoate Openeye Name: ethyl 2-[(2-aminoacetyl)-benzyl-amino]-3-(3-carbamimidoylphenyl)-3-oxo-2-phenyl-propanoate CAS Name: 2-[(2-amino-1-oxoethyl)-(phenylmethyl)amino]-3-(3-carbamimidoylphenyl)-3-oxo-2-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[(2-aminoacetyl)-benzylamino]-3-(3-carbamimidoylphenyl)-3-oxo-2-phenylpropanoate Traditional Name: 3-(3-amidinophenyl)-2-[benzyl(glycyl)amino]-3-keto-2-phenyl-propionic acid ethyl ester Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)(C(=O)C2=CC(=CC=C2)C(=N)N)N(CC3=CC=CC=C3)C(=O)CN

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)(C(=O)C2=CC(=CC=C2)C(=N)N)N(CC3=CC=CC=C3)C(=O)CN

InChI

InChI=1S/C27H28N4O4/c1-2-35-26(34)27(22-14-7-4-8-15-22,24(33)20-12-9-13-21(16-20)25(29)30)31(23(32)17-28)18-19-10-5-3-6-11-19/h3-16H,2,17-18,28H2,1H3,(H3,29,30)