(2S,4S)-4-pent-4-ynylsulfanyl-1-(3-sulfanylbutanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S)-4-pent-4-ynylsulfanyl-1-(3-sulfanylbutanoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-4-pent-4-ynylsulfanyl-1-(3-sulfanylbutanoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-1-(3-mercapto-1-oxobutyl)-4-(pent-4-ynylthio)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-4-pent-4-ynylsulfanyl-1-(3-sulfanylbutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-1-(3-mercaptobutanoyl)-4-(pent-4-ynylthio)proline Formula: C14H21NO3S2 MolecularWeight: 315.45144

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CC(CC1C(=O)O)SCCCC#C)S

Isomeric SMILES

CC(CC(=O)N1C[C@H](C[C@H]1C(=O)O)SCCCC#C)S

InChI

InChI=1S/C14H21NO3S2/c1-3-4-5-6-20-11-8-12(14(17)18)15(9-11)13(16)7-10(2)19/h1,10-12,19H,4-9H2,2H3,(H,17,18)/t10?,11-,12-/m0/s1