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

Systemtic Name: methyl (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[[(2S)-4-methyl-2-oxidanyl-pentanoyl]amino]pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[[(2S)-2-hydroxy-4-methyl-pentanoyl]amino]pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[[(2S)-2-hydroxy-4-methyl-1-oxopentyl]amino]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]pyrrolidine-2-carboxylate Traditional Name: (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[[(2S)-2-hydroxy-4-methyl-pentanoyl]amino]pyrrolidine-2-carboxylic acid methyl ester Formula: C22H34N2O7S MolecularWeight: 470.57956

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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(CC(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](CC(C)C)O

InChI

InChI=1S/C22H34N2O7S/c1-5-6-11-31-17-7-9-18(10-8-17)32(28,29)24-14-16(13-19(24)22(27)30-4)23-21(26)20(25)12-15(2)3/h7-10,15-16,19-20,25H,5-6,11-14H2,1-4H3,(H,23,26)/t16-,19+,20-/m0/s1