4-[[(2R,3S)-2-azanyl-3-(4-nitrophenyl)-3-oxidanyl-propanoyl]amino]butanoic acid

Systemtic Name: 4-[[(2R,3S)-2-azanyl-3-(4-nitrophenyl)-3-oxidanyl-propanoyl]amino]butanoic acid Openeye Name: 4-[[(2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoyl]amino]butanoic acid CAS Name: 4-[[(2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)-1-oxopropyl]amino]butanoic acid IUPAC Name: 4-[[(2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoyl]amino]butanoic acid Traditional Name: 4-[[(2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoyl]amino]butyric acid Formula: C13H17N3O6 MolecularWeight: 311.29058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(C(=O)NCCCC(=O)O)N)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1[C@@H]([C@H](C(=O)NCCCC(=O)O)N)O)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O6/c14-11(13(20)15-7-1-2-10(17)18)12(19)8-3-5-9(6-4-8)16(21)22/h3-6,11-12,19H,1-2,7,14H2,(H,15,20)(H,17,18)/t11-,12+/m1/s1