(2S,5S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]-5-(3-phenylpropylsulfanyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,5S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]-5-(3-phenylpropylsulfanyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,5S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]-5-(3-phenylpropylsulfanyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,5S)-1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-5-(3-phenylpropylthio)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,5S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]-5-(3-phenylpropylsulfanyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,5S)-1-[(2S)-3-mercapto-2-methyl-propanoyl]-5-(3-phenylpropylthio)proline Formula: C18H25NO3S2 MolecularWeight: 367.526

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1C(CCC1SCCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C[C@H](CS)C(=O)N1[C@@H](CC[C@@H]1SCCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H25NO3S2/c1-13(12-23)17(20)19-15(18(21)22)9-10-16(19)24-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,13,15-16,23H,5,8-12H2,1H3,(H,21,22)/t13-,15+,16+/m1/s1