3-[[4-[(4-carbamimidoylnaphthalen-1-yl)-(phenylmethyl)amino]-4-oxidanylidene-butanoyl]amino]pent-4-enoic acid

Systemtic Name: 3-[[4-[(4-carbamimidoylnaphthalen-1-yl)-(phenylmethyl)amino]-4-oxidanylidene-butanoyl]amino]pent-4-enoic acid Openeye Name: 3-[[4-[benzyl-(4-carbamimidoyl-1-naphthyl)amino]-4-oxo-butanoyl]amino]pent-4-enoic acid CAS Name: 3-[[4-[(4-carbamimidoyl-1-naphthalenyl)-(phenylmethyl)amino]-1,4-dioxobutyl]amino]-4-pentenoic acid IUPAC Name: 3-[[4-[benzyl-(4-carbamimidoylnaphthalen-1-yl)amino]-4-oxobutanoyl]amino]pent-4-enoic acid Traditional Name: 3-[[4-[(4-amidino-1-naphthyl)-benzyl-amino]-4-keto-butanoyl]amino]pent-4-enoic acid Formula: C27H28N4O4 MolecularWeight: 472.53562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC(CC(=O)O)NC(=O)CCC(=O)N(CC1=CC=CC=C1)C2=CC=C(C3=CC=CC=C32)C(=N)N

Isomeric SMILES

C=CC(CC(=O)O)NC(=O)CCC(=O)N(CC1=CC=CC=C1)C2=CC=C(C3=CC=CC=C32)C(=N)N

InChI

InChI=1S/C27H28N4O4/c1-2-19(16-26(34)35)30-24(32)14-15-25(33)31(17-18-8-4-3-5-9-18)23-13-12-22(27(28)29)20-10-6-7-11-21(20)23/h2-13,19H,1,14-17H2,(H3,28,29)(H,30,32)(H,34,35)