2-[2-azanylethanoyl(naphthalen-2-yl)amino]-4-(3-carbamimidoylphenyl)-4-oxidanylidene-2-phenyl-butanoic acid; pyrrolidine-1-carboxamide

Systemtic Name: 2-[2-azanylethanoyl(naphthalen-2-yl)amino]-4-(3-carbamimidoylphenyl)-4-oxidanylidene-2-phenyl-butanoic acid; pyrrolidine-1-carboxamide Openeye Name: 2-[(2-aminoacetyl)-(2-naphthyl)amino]-4-(3-carbamimidoylphenyl)-4-oxo-2-phenyl-butanoic acid; pyrrolidine-1-carboxamide CAS Name: 2-[(2-amino-1-oxoethyl)-(2-naphthalenyl)amino]-4-(3-carbamimidoylphenyl)-4-oxo-2-phenylbutanoic acid; 1-pyrrolidinecarboxamide IUPAC Name: 2-[(2-aminoacetyl)-naphthalen-2-ylamino]-4-(3-carbamimidoylphenyl)-4-oxo-2-phenylbutanoic acid; pyrrolidine-1-carboxamide Traditional Name: 4-(3-amidinophenyl)-2-[glycyl(2-naphthyl)amino]-4-keto-2-phenyl-butyric acid; pyrrolidine-1-carboxamide Formula: C34H36N6O5 MolecularWeight: 608.68684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)N.C1=CC=C(C=C1)C(CC(=O)C2=CC(=CC=C2)C(=N)N)(C(=O)O)N(C3=CC4=CC=CC=C4C=C3)C(=O)CN

Isomeric SMILES

C1CCN(C1)C(=O)N.C1=CC=C(C=C1)C(CC(=O)C2=CC(=CC=C2)C(=N)N)(C(=O)O)N(C3=CC4=CC=CC=C4C=C3)C(=O)CN

InChI

InChI=1S/C29H26N4O4.C5H10N2O/c30-18-26(35)33(24-14-13-19-7-4-5-8-20(19)16-24)29(28(36)37,23-11-2-1-3-12-23)17-25(34)21-9-6-10-22(15-21)27(31)32;6-5(8)7-3-1-2-4-7/h1-16H,17-18,30H2,(H3,31,32)(H,36,37);1-4H2,(H2,6,8)