(2S)-2-[(4-iodophenyl)sulfonyl-(phenylmethyl)amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[(4-iodophenyl)sulfonyl-(phenylmethyl)amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[benzyl-(4-iodophenyl)sulfonyl-amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[(4-iodophenyl)sulfonyl-(phenylmethyl)amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[benzyl-(4-iodophenyl)sulfonylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[benzyl-(4-iodophenyl)sulfonyl-amino]-3-methyl-butyric acid Formula: C18H20INO4S MolecularWeight: 473.32517

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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=C(C=C2)I

Isomeric SMILES

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

InChI

InChI=1S/C18H20INO4S/c1-13(2)17(18(21)22)20(12-14-6-4-3-5-7-14)25(23,24)16-10-8-15(19)9-11-16/h3-11,13,17H,12H2,1-2H3,(H,21,22)/t17-/m0/s1