(2S,3S)-3-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]oxirane-2-carboxylic acid

Systemtic Name: (2S,3S)-3-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]oxirane-2-carboxylic acid Openeye Name: (2S,3S)-3-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]oxirane-2-carboxylic acid CAS Name: (2S,3S)-3-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid IUPAC Name: (2S,3S)-3-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylic acid Traditional Name: (2S,3S)-3-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]oxirane-2-carboxylic acid Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N)NC(=O)C2C(O2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)[C@@H]2[C@H](O2)C(=O)O

InChI

InChI=1S/C13H14N2O5/c14-11(16)8(6-7-4-2-1-3-5-7)15-12(17)9-10(20-9)13(18)19/h1-5,8-10H,6H2,(H2,14,16)(H,15,17)(H,18,19)/t8-,9-,10-/m0/s1