(2S)-2-acetamido-3-methyl-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)butanamide

Systemtic Name: (2S)-2-acetamido-3-methyl-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)butanamide Openeye Name: (2S)-2-acetamido-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-methyl-butanamide CAS Name: (2S)-2-acetamido-N-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-3-methylbutanamide IUPAC Name: (2S)-2-acetamido-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-methylbutanamide Traditional Name: (2S)-2-acetamido-N-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)-3-methyl-butyramide Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)O)NC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)O)NC(=O)C

InChI

InChI=1S/C17H25N3O5S/c1-11(2)16(18-12(3)21)17(23)19-14-10-13(6-7-15(14)22)26(24,25)20-8-4-5-9-20/h6-7,10-11,16,22H,4-5,8-9H2,1-3H3,(H,18,21)(H,19,23)/t16-/m0/s1