(2S)-2-[4-[(4-nitrophenoxy)-oxidanyl-phosphoryl]butanoylamino]propanoic acid

Systemtic Name: (2S)-2-[4-[(4-nitrophenoxy)-oxidanyl-phosphoryl]butanoylamino]propanoic acid Openeye Name: (2S)-2-[4-[hydroxy-(4-nitrophenoxy)phosphoryl]butanoylamino]propanoic acid CAS Name: (2S)-2-[[4-[hydroxy-(4-nitrophenoxy)phosphoryl]-1-oxobutyl]amino]propanoic acid IUPAC Name: (2S)-2-[4-[hydroxy-(4-nitrophenoxy)phosphoryl]butanoylamino]propanoic acid Traditional Name: (2S)-2-[4-[hydroxy-(4-nitrophenoxy)phosphoryl]butanoylamino]propionic acid Formula: C13H17N2O8P MolecularWeight: 360.256441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CCCP(=O)(O)OC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)CCCP(=O)(O)OC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H17N2O8P/c1-9(13(17)18)14-12(16)3-2-8-24(21,22)23-11-6-4-10(5-7-11)15(19)20/h4-7,9H,2-3,8H2,1H3,(H,14,16)(H,17,18)(H,21,22)/t9-/m0/s1