(2R,4S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylate

Systemtic Name: (2R,4S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylate Openeye Name: (2R,4S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-4-(phenylthio)-2-pyrrolidinecarboxylate IUPAC Name: (2R,4S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylate Traditional Name: (2R,4S)-1-[(2S)-3-mercapto-2-methyl-propanoyl]-4-(phenylthio)pyrrolidine-2-carboxylate Formula: C15H18NO3S2- MolecularWeight: 324.43832

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)[O-])SC2=CC=CC=C2

Isomeric SMILES

C[C@H](CS)C(=O)N1C[C@H](C[C@@H]1C(=O)[O-])SC2=CC=CC=C2

InChI

InChI=1S/C15H19NO3S2/c1-10(9-20)14(17)16-8-12(7-13(16)15(18)19)21-11-5-3-2-4-6-11/h2-6,10,12-13,20H,7-9H2,1H3,(H,18,19)/p-1/t10-,12+,13-/m1/s1