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

Systemtic Name: (2S)-N-[(2R)-2-azanyl-3-sulfanyl-propyl]-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(2R)-2-amino-3-sulfanyl-propyl]-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2R)-2-amino-3-mercaptopropyl]-N-(2,3-dimethylphenyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2R)-2-amino-3-sulfanylpropyl]-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(2R)-2-amino-3-mercapto-propyl]-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide Formula: C16H25N3OS MolecularWeight: 307.4542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N(CC(CS)N)C(=O)C2CCCN2)C

Isomeric SMILES

CC1=C(C(=CC=C1)N(C[C@H](CS)N)C(=O)[C@@H]2CCCN2)C

InChI

InChI=1S/C16H25N3OS/c1-11-5-3-7-15(12(11)2)19(9-13(17)10-21)16(20)14-6-4-8-18-14/h3,5,7,13-14,18,21H,4,6,8-10,17H2,1-2H3/t13-,14+/m1/s1