(2S)-3-methyl-2-[(3-nitrophenyl)sulfonyl-(phenylmethyl)amino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[(3-nitrophenyl)sulfonyl-(phenylmethyl)amino]butanoic acid Openeye Name: (2S)-2-[benzyl-(3-nitrophenyl)sulfonyl-amino]-3-methyl-butanoic acid CAS Name: (2S)-3-methyl-2-[(3-nitrophenyl)sulfonyl-(phenylmethyl)amino]butanoic acid IUPAC Name: (2S)-2-[benzyl-(3-nitrophenyl)sulfonylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[benzyl-(3-nitrophenyl)sulfonyl-amino]-3-methyl-butyric acid Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6S/c1-13(2)17(18(21)22)19(12-14-7-4-3-5-8-14)27(25,26)16-10-6-9-15(11-16)20(23)24/h3-11,13,17H,12H2,1-2H3,(H,21,22)/t17-/m0/s1