2-[2-[(4-methylphenyl)carbonylamino]ethanoylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[2-[(4-methylphenyl)carbonylamino]ethanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoic acid CAS Name: 3-hydroxy-2-[[2-[[(4-methylphenyl)-oxomethyl]amino]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoic acid Traditional Name: 3-hydroxy-2-[[2-(p-toluoylamino)acetyl]amino]propionic acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC(=O)NC(CO)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC(=O)NC(CO)C(=O)O

InChI

InChI=1S/C13H16N2O5/c1-8-2-4-9(5-3-8)12(18)14-6-11(17)15-10(7-16)13(19)20/h2-5,10,16H,6-7H2,1H3,(H,14,18)(H,15,17)(H,19,20)