(2S)-2-[(4-fluorophenyl)methyl-(4-nitrophenoxy)carbonyl-amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[(4-fluorophenyl)methyl-(4-nitrophenoxy)carbonyl-amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[(4-fluorophenyl)methyl-(4-nitrophenoxy)carbonyl-amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[(4-fluorophenyl)methyl-[(4-nitrophenoxy)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(4-fluorophenyl)methyl-(4-nitrophenoxy)carbonylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(4-fluorobenzyl)-(4-nitrophenoxy)carbonyl-amino]-3-methyl-butyric acid Formula: C19H19FN2O6 MolecularWeight: 390.362363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(CC1=CC=C(C=C1)F)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)O)N(CC1=CC=C(C=C1)F)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19FN2O6/c1-12(2)17(18(23)24)21(11-13-3-5-14(20)6-4-13)19(25)28-16-9-7-15(8-10-16)22(26)27/h3-10,12,17H,11H2,1-2H3,(H,23,24)/t17-/m0/s1