(2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-nitrophenyl)-2-oxidanyl-propanoic acid

Systemtic Name: (2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-nitrophenyl)-2-oxidanyl-propanoic acid Openeye Name: (2S,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-3-(3-nitrophenyl)propanoic acid CAS Name: (2S,3S)-2-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: (2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-nitrophenyl)propanoic acid Traditional Name: (2S,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-3-(3-nitrophenyl)propionic acid Formula: C14H18N2O7 MolecularWeight: 326.30192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O7/c1-14(2,3)23-13(20)15-10(11(17)12(18)19)8-5-4-6-9(7-8)16(21)22/h4-7,10-11,17H,1-3H3,(H,15,20)(H,18,19)/t10-,11-/m0/s1