methyl 3-acetamido-2-[(3-carbamimidoylphenyl)methyl]butanoate

Systemtic Name: methyl 3-acetamido-2-[(3-carbamimidoylphenyl)methyl]butanoate Openeye Name: methyl 3-acetamido-2-[(3-carbamimidoylphenyl)methyl]butanoate CAS Name: 3-acetamido-2-[(3-carbamimidoylphenyl)methyl]butanoic acid methyl ester IUPAC Name: methyl 3-acetamido-2-[(3-carbamimidoylphenyl)methyl]butanoate Traditional Name: 3-acetamido-2-(3-amidinobenzyl)butyric acid methyl ester Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C(=N)N)C(=O)OC)NC(=O)C

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C(=N)N)C(=O)OC)NC(=O)C

InChI

InChI=1S/C15H21N3O3/c1-9(18-10(2)19)13(15(20)21-3)8-11-5-4-6-12(7-11)14(16)17/h4-7,9,13H,8H2,1-3H3,(H3,16,17)(H,18,19)