methyl (2S)-2-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-methyl-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-methyl-5-pyrrolidinosulfonyl-benzoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C18H26N2O5S2 MolecularWeight: 414.53944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C18H26N2O5S2/c1-13-6-7-14(27(23,24)20-9-4-5-10-20)12-15(13)17(21)19-16(8-11-26-3)18(22)25-2/h6-7,12,16H,4-5,8-11H2,1-3H3,(H,19,21)/t16-/m0/s1