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

Systemtic Name: (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[[(2S)-4-methyl-2-oxidanyl-pentanoyl]amino]-N-oxidanyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(3S,5R)-1-(4-butoxyphenyl)sulfonyl-5-(hydroxycarbamoyl)pyrrolidin-3-yl]-2-hydroxy-4-methyl-pentanamide CAS Name: (2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-[[(2S)-2-hydroxy-4-methyl-1-oxopentyl]amino]-2-pyrrolidinecarboxamide IUPAC Name: (2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(3S,5R)-1-(4-butoxyphenyl)sulfonyl-5-(hydroxycarbamoyl)pyrrolidin-3-yl]-2-hydroxy-4-methyl-valeramide Formula: C21H33N3O7S MolecularWeight: 471.56762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)NO)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)NO)NC(=O)[C@H](CC(C)C)O

InChI

InChI=1S/C21H33N3O7S/c1-4-5-10-31-16-6-8-17(9-7-16)32(29,30)24-13-15(12-18(24)20(26)23-28)22-21(27)19(25)11-14(2)3/h6-9,14-15,18-19,25,28H,4-5,10-13H2,1-3H3,(H,22,27)(H,23,26)/t15-,18+,19-/m0/s1