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

Systemtic Name: 2-[2-azanylethanoyl(naphthalen-2-yl)amino]-4-(3-carbamimidoylphenyl)-2-naphthalen-1-yl-4-oxidanylidene-butanoic acid; pyrrolidine-1-carboxamide Openeye Name: 2-[(2-aminoacetyl)-(2-naphthyl)amino]-4-(3-carbamimidoylphenyl)-2-(1-naphthyl)-4-oxo-butanoic acid; pyrrolidine-1-carboxamide CAS Name: 2-[(2-amino-1-oxoethyl)-(2-naphthalenyl)amino]-4-(3-carbamimidoylphenyl)-2-(1-naphthalenyl)-4-oxobutanoic acid; 1-pyrrolidinecarboxamide IUPAC Name: 2-[(2-aminoacetyl)-naphthalen-2-ylamino]-4-(3-carbamimidoylphenyl)-2-naphthalen-1-yl-4-oxobutanoic acid; pyrrolidine-1-carboxamide Traditional Name: 4-(3-amidinophenyl)-2-[glycyl(2-naphthyl)amino]-4-keto-2-(1-naphthyl)butyric acid; pyrrolidine-1-carboxamide Formula: C38H38N6O5 MolecularWeight: 658.74552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)N.C1=CC=C2C=C(C=CC2=C1)N(C(=O)CN)C(CC(=O)C3=CC(=CC=C3)C(=N)N)(C4=CC=CC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1CCN(C1)C(=O)N.C1=CC=C2C=C(C=CC2=C1)N(C(=O)CN)C(CC(=O)C3=CC(=CC=C3)C(=N)N)(C4=CC=CC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C33H28N4O4.C5H10N2O/c34-20-30(39)37(26-16-15-21-7-1-2-9-23(21)18-26)33(32(40)41,28-14-6-10-22-8-3-4-13-27(22)28)19-29(38)24-11-5-12-25(17-24)31(35)36;6-5(8)7-3-1-2-4-7/h1-18H,19-20,34H2,(H3,35,36)(H,40,41);1-4H2,(H2,6,8)