4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-1-ethanoyl-2,3-dihydropyrrole-5-carboxylic acid

Systemtic Name: 4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-1-ethanoyl-2,3-dihydropyrrole-5-carboxylic acid Openeye Name: 1-acetyl-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-2,3-dihydropyrrole-5-carboxylic acid CAS Name: 1-acetyl-4-[[(3S,5S)-5-[dimethylamino(oxo)methyl]-3-pyrrolidinyl]thio]-2,3-dihydropyrrole-5-carboxylic acid IUPAC Name: 1-acetyl-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-2,3-dihydropyrrole-5-carboxylic acid Traditional Name: 1-acetyl-3-[[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]thio]-2-pyrroline-2-carboxylic acid Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(=C1C(=O)O)SC2CC(NC2)C(=O)N(C)C

Isomeric SMILES

CC(=O)N1CCC(=C1C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C

InChI

InChI=1S/C14H21N3O4S/c1-8(18)17-5-4-11(12(17)14(20)21)22-9-6-10(15-7-9)13(19)16(2)3/h9-10,15H,4-7H2,1-3H3,(H,20,21)/t9-,10-/m0/s1