(2R)-3-(1H-imidazol-5-yl)-2-[(4-methyl-3-oxidanyl-phenyl)carbonylamino]propanoic acid

Systemtic Name: (2R)-3-(1H-imidazol-5-yl)-2-[(4-methyl-3-oxidanyl-phenyl)carbonylamino]propanoic acid Openeye Name: (2R)-2-[(3-hydroxy-4-methyl-benzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2R)-2-[[(3-hydroxy-4-methylphenyl)-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: (2R)-2-[(3-hydroxy-4-methylbenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2R)-2-[(3-hydroxy-4-methyl-benzoyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(CC2=CN=CN2)C(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N[C@H](CC2=CN=CN2)C(=O)O)O

InChI

InChI=1S/C14H15N3O4/c1-8-2-3-9(4-12(8)18)13(19)17-11(14(20)21)5-10-6-15-7-16-10/h2-4,6-7,11,18H,5H2,1H3,(H,15,16)(H,17,19)(H,20,21)/t11-/m1/s1