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

Systemtic Name: 2-[2-azanylethanoyl(naphthalen-2-yl)amino]-4-(3-carbamimidoylphenyl)-4-oxidanylidene-2-phenyl-butanoic acid Openeye Name: 2-[(2-aminoacetyl)-(2-naphthyl)amino]-4-(3-carbamimidoylphenyl)-4-oxo-2-phenyl-butanoic acid CAS Name: 2-[(2-amino-1-oxoethyl)-(2-naphthalenyl)amino]-4-(3-carbamimidoylphenyl)-4-oxo-2-phenylbutanoic acid IUPAC Name: 2-[(2-aminoacetyl)-naphthalen-2-ylamino]-4-(3-carbamimidoylphenyl)-4-oxo-2-phenylbutanoic acid Traditional Name: 4-(3-amidinophenyl)-2-[glycyl(2-naphthyl)amino]-4-keto-2-phenyl-butyric acid Formula: C29H26N4O4 MolecularWeight: 494.54114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

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/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/h1-16H,17-18,30H2,(H3,31,32)(H,36,37)