5-[[(2R)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-2-(prop-2-enylcarbamoyl)benzoic acid

Systemtic Name: 5-[[(2R)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-2-(prop-2-enylcarbamoyl)benzoic acid Openeye Name: 2-(allylcarbamoyl)-5-[[(1R)-1-benzyl-2-hydroxy-2-oxo-ethyl]carbamoyl]benzoic acid CAS Name: 5-[[[(2R)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-[oxo-(prop-2-enylamino)methyl]benzoic acid IUPAC Name: 5-[[(2R)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]-2-(prop-2-enylcarbamoyl)benzoic acid Traditional Name: 2-(allylcarbamoyl)-5-[[(1R)-1-benzyl-2-hydroxy-2-keto-ethyl]carbamoyl]benzoic acid Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=C(C=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

C=CCNC(=O)C1=C(C=C(C=C1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C21H20N2O6/c1-2-10-22-19(25)15-9-8-14(12-16(15)20(26)27)18(24)23-17(21(28)29)11-13-6-4-3-5-7-13/h2-9,12,17H,1,10-11H2,(H,22,25)(H,23,24)(H,26,27)(H,28,29)/t17-/m1/s1