(2S,3S)-3-[[1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]carbamoyl]oxirane-2-carboxylic acid

Systemtic Name: (2S,3S)-3-[[1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]carbamoyl]oxirane-2-carboxylic acid Openeye Name: (2S,3S)-3-[[2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]oxirane-2-carboxylic acid CAS Name: (2S,3S)-3-[[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid IUPAC Name: (2S,3S)-3-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]oxirane-2-carboxylic acid Traditional Name: (2S,3S)-3-[[2-amino-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]oxirane-2-carboxylic acid Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)N)NC(=O)C2C(O2)C(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)N)NC(=O)[C@@H]2[C@H](O2)C(=O)O)O

InChI

InChI=1S/C13H14N2O6/c14-11(17)8(5-6-1-3-7(16)4-2-6)15-12(18)9-10(21-9)13(19)20/h1-4,8-10,16H,5H2,(H2,14,17)(H,15,18)(H,19,20)/t8?,9-,10-/m0/s1