methyl 3-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(4-ethanimidoyl-1,4-diazepan-1-yl)phenyl]amino]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(4-ethanimidoyl-1,4-diazepan-1-yl)phenyl]amino]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[N-[(7-carbamimidoyl-2-naphthyl)methyl]-4-(4-ethanimidoyl-1,4-diazepan-1-yl)anilino]-3-oxo-propanoate CAS Name: 3-[N-[(7-carbamimidoyl-2-naphthalenyl)methyl]-4-[4-(1-iminoethyl)-1,4-diazepan-1-yl]anilino]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[N-[(7-carbamimidoylnaphthalen-2-yl)methyl]-4-(4-ethanimidoyl-1,4-diazepan-1-yl)anilino]-3-oxopropanoate Traditional Name: 3-[4-(4-acetimidoyl-1,4-diazepan-1-yl)-N-[(7-amidino-2-naphthyl)methyl]anilino]-3-keto-propionic acid methyl ester 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)CC(=O)OC

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)CC(=O)OC

InChI

InChI=1S/C29H34N6O3/c1-20(30)33-12-3-13-34(15-14-33)25-8-10-26(11-9-25)35(27(36)18-28(37)38-2)19-21-4-5-22-6-7-23(29(31)32)17-24(22)16-21/h4-11,16-17,30H,3,12-15,18-19H2,1-2H3,(H3,31,32)