(1R,2S,3R)-2-(1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl)-3-(phenylcarbamoyl)cyclopropane-1-carboxylic acid

Systemtic Name: (1R,2S,3R)-2-(1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl)-3-(phenylcarbamoyl)cyclopropane-1-carboxylic acid Openeye Name: (1R,2S,3R)-2-(1-amino-2-hydroxy-2-oxo-ethyl)-3-(phenylcarbamoyl)cyclopropanecarboxylic acid CAS Name: (1R,2S,3R)-2-(1-amino-2-hydroxy-2-oxoethyl)-3-[anilino(oxo)methyl]-1-cyclopropanecarboxylic acid IUPAC Name: (1R,2S,3R)-2-(1-amino-2-hydroxy-2-oxoethyl)-3-(phenylcarbamoyl)cyclopropane-1-carboxylic acid Traditional Name: (1R,2S,3R)-2-(1-amino-2-hydroxy-2-keto-ethyl)-3-(phenylcarbamoyl)cyclopropanecarboxylic acid Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2C(C2C(=O)O)C(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)[C@@H]2[C@@H]([C@H]2C(=O)O)C(C(=O)O)N

InChI

InChI=1S/C13H14N2O5/c14-10(13(19)20)7-8(9(7)12(17)18)11(16)15-6-4-2-1-3-5-6/h1-5,7-10H,14H2,(H,15,16)(H,17,18)(H,19,20)/t7-,8+,9+,10?/m0/s1