2-[(7-carbamimidoylnaphthalen-2-yl)methyl-naphthalen-1-ylcarbonyl-amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[(7-carbamimidoylnaphthalen-2-yl)methyl-naphthalen-1-ylcarbonyl-amino]-4-methyl-pentanoic acid Openeye Name: 2-[(7-carbamimidoyl-2-naphthyl)methyl-(naphthalene-1-carbonyl)amino]-4-methyl-pentanoic acid CAS Name: 2-[(7-carbamimidoyl-2-naphthalenyl)methyl-[1-naphthalenyl(oxo)methyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[(7-carbamimidoylnaphthalen-2-yl)methyl-(naphthalene-1-carbonyl)amino]-4-methylpentanoic acid Traditional Name: 2-[(7-amidino-2-naphthyl)methyl-(1-naphthoyl)amino]-4-methyl-valeric acid Formula: C29H29N3O3 MolecularWeight: 467.55886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)CC(C(=O)O)N(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H29N3O3/c1-18(2)14-26(29(34)35)32(28(33)25-9-5-7-21-6-3-4-8-24(21)25)17-19-10-11-20-12-13-22(27(30)31)16-23(20)15-19/h3-13,15-16,18,26H,14,17H2,1-2H3,(H3,30,31)(H,34,35)