(2R)-2-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2R)-2-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2R)-2-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: (2R)-2-[[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2R)-2-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: (2R)-2-[(4-chloro-3-pyrrolidinosulfonyl-benzoyl)amino]-4-(methylthio)butyric acid Formula: C16H21ClN2O5S2 MolecularWeight: 420.93134

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2

Isomeric SMILES

CSCC[C@H](C(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C16H21ClN2O5S2/c1-25-9-6-13(16(21)22)18-15(20)11-4-5-12(17)14(10-11)26(23,24)19-7-2-3-8-19/h4-5,10,13H,2-3,6-9H2,1H3,(H,18,20)(H,21,22)/t13-/m1/s1