6-[[(2R,3S)-2-azanyl-3-(4-nitrophenyl)-3-oxidanyl-propanoyl]amino]hexanoic acid

Systemtic Name: 6-[[(2R,3S)-2-azanyl-3-(4-nitrophenyl)-3-oxidanyl-propanoyl]amino]hexanoic acid Openeye Name: 6-[[(2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoyl]amino]hexanoic acid CAS Name: 6-[[(2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-[[(2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoyl]amino]hexanoic acid Traditional Name: 6-[[(2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoyl]amino]hexanoic acid Formula: C15H21N3O6 MolecularWeight: 339.34374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O6/c16-13(15(22)17-9-3-1-2-4-12(19)20)14(21)10-5-7-11(8-6-10)18(23)24/h5-8,13-14,21H,1-4,9,16H2,(H,17,22)(H,19,20)/t13-,14+/m1/s1