(2R)-3-methyl-2-[(4-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanoic acid

Systemtic Name: (2R)-3-methyl-2-[(4-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanoic acid Openeye Name: (2R)-3-methyl-2-[(4-nitrophenyl)sulfonyl-(3-pyridylmethyl)amino]butanoic acid CAS Name: (2R)-3-methyl-2-[(4-nitrophenyl)sulfonyl-(3-pyridinylmethyl)amino]butanoic acid IUPAC Name: (2R)-3-methyl-2-[(4-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanoic acid Traditional Name: (2R)-3-methyl-2-[nosyl(3-pyridylmethyl)amino]butyric acid Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6S/c1-12(2)16(17(21)22)19(11-13-4-3-9-18-10-13)27(25,26)15-7-5-14(6-8-15)20(23)24/h3-10,12,16H,11H2,1-2H3,(H,21,22)/t16-/m1/s1