(2S,3S)-N-[(2R)-2-azanyl-3-sulfanyl-propyl]-N-(2,3-dimethylphenyl)-3-ethyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,3S)-N-[(2R)-2-azanyl-3-sulfanyl-propyl]-N-(2,3-dimethylphenyl)-3-ethyl-pyrrolidine-2-carboxamide Openeye Name: (2S,3S)-N-[(2R)-2-amino-3-sulfanyl-propyl]-N-(2,3-dimethylphenyl)-3-ethyl-pyrrolidine-2-carboxamide CAS Name: (2S,3S)-N-[(2R)-2-amino-3-mercaptopropyl]-N-(2,3-dimethylphenyl)-3-ethyl-2-pyrrolidinecarboxamide IUPAC Name: (2S,3S)-N-[(2R)-2-amino-3-sulfanylpropyl]-N-(2,3-dimethylphenyl)-3-ethylpyrrolidine-2-carboxamide Traditional Name: (2S,3S)-N-[(2R)-2-amino-3-mercapto-propyl]-N-(2,3-dimethylphenyl)-3-ethyl-pyrrolidine-2-carboxamide Formula: C18H29N3OS MolecularWeight: 335.50736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCNC1C(=O)N(CC(CS)N)C2=CC=CC(=C2C)C

Isomeric SMILES

CC[C@H]1CCN[C@@H]1C(=O)N(C[C@H](CS)N)C2=CC=CC(=C2C)C

InChI

InChI=1S/C18H29N3OS/c1-4-14-8-9-20-17(14)18(22)21(10-15(19)11-23)16-7-5-6-12(2)13(16)3/h5-7,14-15,17,20,23H,4,8-11,19H2,1-3H3/t14-,15+,17-/m0/s1