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

Systemtic Name: methyl (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[[(2S)-2-oxidanylpropanoyl]amino]pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[[(2S)-2-hydroxypropanoyl]amino]pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[[(2S)-2-hydroxy-1-oxopropyl]amino]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[[(2S)-2-hydroxypropanoyl]amino]pyrrolidine-2-carboxylate Traditional Name: (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[[(2S)-2-hydroxypropanoyl]amino]pyrrolidine-2-carboxylic acid methyl ester Formula: C19H28N2O7S MolecularWeight: 428.49982

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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)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)O

InChI

InChI=1S/C19H28N2O7S/c1-4-5-10-28-15-6-8-16(9-7-15)29(25,26)21-12-14(20-18(23)13(2)22)11-17(21)19(24)27-3/h6-9,13-14,17,22H,4-5,10-12H2,1-3H3,(H,20,23)/t13-,14-,17+/m0/s1