methyl 3-benzamido-2-[(3-carbamimidoylphenyl)methyl]-5-phenyl-pentanoate

Systemtic Name: methyl 3-benzamido-2-[(3-carbamimidoylphenyl)methyl]-5-phenyl-pentanoate Openeye Name: methyl 3-benzamido-2-[(3-carbamimidoylphenyl)methyl]-5-phenyl-pentanoate CAS Name: 3-benzamido-2-[(3-carbamimidoylphenyl)methyl]-5-phenylpentanoic acid methyl ester IUPAC Name: methyl 3-benzamido-2-[(3-carbamimidoylphenyl)methyl]-5-phenylpentanoate Traditional Name: 2-(3-amidinobenzyl)-3-benzamido-5-phenyl-valeric acid methyl ester Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC(=C1)C(=N)N)C(CCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CC1=CC=CC(=C1)C(=N)N)C(CCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H29N3O3/c1-33-27(32)23(18-20-11-8-14-22(17-20)25(28)29)24(16-15-19-9-4-2-5-10-19)30-26(31)21-12-6-3-7-13-21/h2-14,17,23-24H,15-16,18H2,1H3,(H3,28,29)(H,30,31)