(phenylmethyl) (2S)-2-[[4-[(3-methylphenyl)carbamoyl]-1H-imidazol-5-yl]carbonylamino]propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[4-[(3-methylphenyl)carbamoyl]-1H-imidazol-5-yl]carbonylamino]propanoate Openeye Name: benzyl (2S)-2-[[4-(m-tolylcarbamoyl)-1H-imidazole-5-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[4-[(3-methylanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[4-[(3-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[4-(m-tolylcarbamoyl)-1H-imidazole-5-carbonyl]amino]propionic acid benzyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NC(C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N[C@@H](C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H22N4O4/c1-14-7-6-10-17(11-14)26-21(28)19-18(23-13-24-19)20(27)25-15(2)22(29)30-12-16-8-4-3-5-9-16/h3-11,13,15H,12H2,1-2H3,(H,23,24)(H,25,27)(H,26,28)/t15-/m0/s1