methyl (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[[(2S)-3-methyl-2-oxidanyl-butanoyl]amino]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[[(2S)-3-methyl-2-oxidanyl-butanoyl]amino]pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[[(2S)-2-hydroxy-3-methyl-butanoyl]amino]pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[[(2S)-2-hydroxy-3-methyl-1-oxobutyl]amino]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[[(2S)-2-hydroxy-3-methylbutanoyl]amino]pyrrolidine-2-carboxylate Traditional Name: (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[[(2S)-2-hydroxy-3-methyl-butanoyl]amino]pyrrolidine-2-carboxylic acid methyl ester Formula: C21H32N2O7S MolecularWeight: 456.55298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)NC(=O)C(C(C)C)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C[C@@H]2C(=O)OC)NC(=O)[C@H](C(C)C)O

InChI

InChI=1S/C21H32N2O7S/c1-5-6-11-30-16-7-9-17(10-8-16)31(27,28)23-13-15(12-18(23)21(26)29-4)22-20(25)19(24)14(2)3/h7-10,14-15,18-19,24H,5-6,11-13H2,1-4H3,(H,22,25)/t15-,18+,19-/m0/s1