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

Systemtic Name: ethyl 3-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(4-ethanimidoyl-1,4-diazepan-1-yl)pyridin-3-yl]amino]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[(7-carbamimidoyl-2-naphthyl)methyl-[4-(4-ethanimidoyl-1,4-diazepan-1-yl)-3-pyridyl]amino]-3-oxo-propanoate CAS Name: 3-[(7-carbamimidoyl-2-naphthalenyl)methyl-[4-[4-(1-iminoethyl)-1,4-diazepan-1-yl]-3-pyridinyl]amino]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(4-ethanimidoyl-1,4-diazepan-1-yl)pyridin-3-yl]amino]-3-oxopropanoate Traditional Name: 3-[[4-(4-acetimidoyl-1,4-diazepan-1-yl)-3-pyridyl]-[(7-amidino-2-naphthyl)methyl]amino]-3-keto-propionic acid ethyl ester Formula: C29H35N7O3 MolecularWeight: 529.6333

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=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)CC(=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/C29H35N7O3/c1-3-39-28(38)17-27(37)36(19-21-5-6-22-7-8-23(29(31)32)16-24(22)15-21)26-18-33-10-9-25(26)35-12-4-11-34(13-14-35)20(2)30/h5-10,15-16,18,30H,3-4,11-14,17,19H2,1-2H3,(H3,31,32)