(2S)-2-[[(1S)-2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl]carbamoylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[(1S)-2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl]carbamoylamino]pentanedioic acid Openeye Name: (2S)-2-[[(1S)-2-hydroxy-2-oxo-1-phenyl-ethyl]carbamoylamino]pentanedioic acid CAS Name: (2S)-2-[[[[(1S)-2-hydroxy-2-oxo-1-phenylethyl]amino]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(1S)-2-hydroxy-2-oxo-1-phenylethyl]carbamoylamino]pentanedioic acid Traditional Name: (2S)-2-[[(1S)-2-hydroxy-2-keto-1-phenyl-ethyl]carbamoylamino]glutaric acid Formula: C14H16N2O7 MolecularWeight: 324.28604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O7/c17-10(18)7-6-9(12(19)20)15-14(23)16-11(13(21)22)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,17,18)(H,19,20)(H,21,22)(H2,15,16,23)/t9-,11-/m0/s1