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

Systemtic Name: 4-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(4-ethanimidoyl-1,4-diazepan-1-yl)pyridin-3-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(7-carbamimidoyl-2-naphthyl)methyl-[4-(4-ethanimidoyl-1,4-diazepan-1-yl)-3-pyridyl]amino]-4-oxo-butanoic acid CAS Name: 4-[(7-carbamimidoyl-2-naphthalenyl)methyl-[4-[4-(1-iminoethyl)-1,4-diazepan-1-yl]-3-pyridinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(4-ethanimidoyl-1,4-diazepan-1-yl)pyridin-3-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[4-(4-acetimidoyl-1,4-diazepan-1-yl)-3-pyridyl]-[(7-amidino-2-naphthyl)methyl]amino]-4-keto-butyric acid Formula: C28H33N7O3 MolecularWeight: 515.60672

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H33N7O3/c1-19(29)33-11-2-12-34(14-13-33)24-9-10-32-17-25(24)35(26(36)7-8-27(37)38)18-20-3-4-21-5-6-22(28(30)31)16-23(21)15-20/h3-6,9-10,15-17,29H,2,7-8,11-14,18H2,1H3,(H3,30,31)(H,37,38)