(2R)-2-[(2-bromanylpyridin-3-yl)methyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoic acid

Systemtic Name: (2R)-2-[(2-bromanylpyridin-3-yl)methyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoic acid Openeye Name: (2R)-2-[(2-bromo-3-pyridyl)methyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoic acid CAS Name: (2R)-2-[(2-bromo-3-pyridinyl)methyl-(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid IUPAC Name: (2R)-2-[(2-bromopyridin-3-yl)methyl-(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid Traditional Name: (2R)-2-[(2-bromo-3-pyridyl)methyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butyric acid Formula: C18H21BrN2O5S MolecularWeight: 457.33874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(CC1=C(N=CC=C1)Br)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)[C@H](C(=O)O)N(CC1=C(N=CC=C1)Br)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H21BrN2O5S/c1-12(2)16(18(22)23)21(11-13-5-4-10-20-17(13)19)27(24,25)15-8-6-14(26-3)7-9-15/h4-10,12,16H,11H2,1-3H3,(H,22,23)/t16-/m1/s1