4-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(4-ethanimidoyl-1,4-diazepan-1-yl)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(4-ethanimidoyl-1,4-diazepan-1-yl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[N-[(7-carbamimidoyl-2-naphthyl)methyl]-4-(4-ethanimidoyl-1,4-diazepan-1-yl)anilino]-4-oxo-butanoic acid CAS Name: 4-[N-[(7-carbamimidoyl-2-naphthalenyl)methyl]-4-[4-(1-iminoethyl)-1,4-diazepan-1-yl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[N-[(7-carbamimidoylnaphthalen-2-yl)methyl]-4-(4-ethanimidoyl-1,4-diazepan-1-yl)anilino]-4-oxobutanoic acid Traditional Name: 4-[4-(4-acetimidoyl-1,4-diazepan-1-yl)-N-[(7-amidino-2-naphthyl)methyl]anilino]-4-keto-butyric acid Formula: C29H34N6O3 MolecularWeight: 514.61866

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCCN(CC1)C2=CC=C(C=C2)N(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)CCC(=O)O

Isomeric SMILES

CC(=N)N1CCCN(CC1)C2=CC=C(C=C2)N(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)CCC(=O)O

InChI

InChI=1S/C29H34N6O3/c1-20(30)33-13-2-14-34(16-15-33)25-7-9-26(10-8-25)35(27(36)11-12-28(37)38)19-21-3-4-22-5-6-23(29(31)32)18-24(22)17-21/h3-10,17-18,30H,2,11-16,19H2,1H3,(H3,31,32)(H,37,38)