ethyl 4-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(4-ethanimidoyl-1,4-diazepan-1-yl)pyridin-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(4-ethanimidoyl-1,4-diazepan-1-yl)pyridin-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(7-carbamimidoyl-2-naphthyl)methyl-[4-(4-ethanimidoyl-1,4-diazepan-1-yl)-3-pyridyl]amino]-4-oxo-butanoate CAS Name: 4-[(7-carbamimidoyl-2-naphthalenyl)methyl-[4-[4-(1-iminoethyl)-1,4-diazepan-1-yl]-3-pyridinyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(4-ethanimidoyl-1,4-diazepan-1-yl)pyridin-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[4-(4-acetimidoyl-1,4-diazepan-1-yl)-3-pyridyl]-[(7-amidino-2-naphthyl)methyl]amino]-4-keto-butyric acid ethyl ester Formula: C30H37N7O3 MolecularWeight: 543.65988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)C3=C(C=CN=C3)N4CCCN(CC4)C(=N)C

Isomeric SMILES

CCOC(=O)CCC(=O)N(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)C3=C(C=CN=C3)N4CCCN(CC4)C(=N)C

InChI

InChI=1S/C30H37N7O3/c1-3-40-29(39)10-9-28(38)37(20-22-5-6-23-7-8-24(30(32)33)18-25(23)17-22)27-19-34-12-11-26(27)36-14-4-13-35(15-16-36)21(2)31/h5-8,11-12,17-19,31H,3-4,9-10,13-16,20H2,1-2H3,(H3,32,33)