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

Systemtic Name: (2S)-3-methyl-2-[(phenylmethyl)-(trichloromethylsulfonyl)amino]butanoic acid Openeye Name: (2S)-2-[benzyl(trichloromethylsulfonyl)amino]-3-methyl-butanoic acid CAS Name: (2S)-3-methyl-2-[(phenylmethyl)-(trichloromethylsulfonyl)amino]butanoic acid IUPAC Name: (2S)-2-[benzyl(trichloromethylsulfonyl)amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[benzyl(trichloromethylsulfonyl)amino]-3-methyl-butyric acid Formula: C13H16Cl3NO4S MolecularWeight: 388.69444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(CC1=CC=CC=C1)S(=O)(=O)C(Cl)(Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H16Cl3NO4S/c1-9(2)11(12(18)19)17(22(20,21)13(14,15)16)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,18,19)/t11-/m0/s1