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

Systemtic Name: methyl 3-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(1,4-diazepan-1-yl)phenyl]amino]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[N-[(7-carbamimidoyl-2-naphthyl)methyl]-4-(1,4-diazepan-1-yl)anilino]-3-oxo-propanoate CAS Name: 3-[N-[(7-carbamimidoyl-2-naphthalenyl)methyl]-4-(1,4-diazepan-1-yl)anilino]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[N-[(7-carbamimidoylnaphthalen-2-yl)methyl]-4-(1,4-diazepan-1-yl)anilino]-3-oxopropanoate Traditional Name: 3-[N-[(7-amidino-2-naphthyl)methyl]-4-(1,4-diazepan-1-yl)anilino]-3-keto-propionic acid methyl ester Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)N(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)N4CCCNCC4

Isomeric SMILES

COC(=O)CC(=O)N(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)N4CCCNCC4

InChI

InChI=1S/C27H31N5O3/c1-35-26(34)17-25(33)32(24-9-7-23(8-10-24)31-13-2-11-30-12-14-31)18-19-3-4-20-5-6-21(27(28)29)16-22(20)15-19/h3-10,15-16,30H,2,11-14,17-18H2,1H3,(H3,28,29)