2-(2-methylpropanoylamino)-3-[(4-methylsulfonylphenyl)methylsulfanyl]-3-sulfanyl-propanoic acid

Systemtic Name: 2-(2-methylpropanoylamino)-3-[(4-methylsulfonylphenyl)methylsulfanyl]-3-sulfanyl-propanoic acid Openeye Name: 2-(2-methylpropanoylamino)-3-[(4-methylsulfonylphenyl)methylsulfanyl]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[(2-methyl-1-oxopropyl)amino]-3-[(4-methylsulfonylphenyl)methylthio]propanoic acid IUPAC Name: 2-(2-methylpropanoylamino)-3-[(4-methylsulfonylphenyl)methylsulfanyl]-3-sulfanylpropanoic acid Traditional Name: 2-(isobutyrylamino)-3-mercapto-3-[(4-mesylbenzyl)thio]propionic acid Formula: C15H21NO5S3 MolecularWeight: 391.52594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(C(S)SCC1=CC=C(C=C1)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(C)C(=O)NC(C(S)SCC1=CC=C(C=C1)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C15H21NO5S3/c1-9(2)13(17)16-12(14(18)19)15(22)23-8-10-4-6-11(7-5-10)24(3,20)21/h4-7,9,12,15,22H,8H2,1-3H3,(H,16,17)(H,18,19)