2-acetamido-3-[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenyl]propanoic acid

Systemtic Name: 2-acetamido-3-[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenyl]propanoic acid Openeye Name: 2-acetamido-3-[4-[(E)-N'-benzyloxycarbonylcarbamimidoyl]phenyl]propanoic acid CAS Name: 2-acetamido-3-[4-[(E)-amino(phenylmethoxycarbonylimino)methyl]phenyl]propanoic acid IUPAC Name: 2-acetamido-3-[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenyl]propanoic acid Traditional Name: 2-acetamido-3-[4-[(E)-N'-carbobenzoxyamidino]phenyl]propionic acid Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)C(=NC(=O)OCC2=CC=CC=C2)N)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC=C(C=C1)/C(=N\C(=O)OCC2=CC=CC=C2)/N)C(=O)O

InChI

InChI=1S/C20H21N3O5/c1-13(24)22-17(19(25)26)11-14-7-9-16(10-8-14)18(21)23-20(27)28-12-15-5-3-2-4-6-15/h2-10,17H,11-12H2,1H3,(H,22,24)(H,25,26)(H2,21,23,27)