(2R)-2-azanyl-1-[(2S)-2-(1,3-benzothiazol-2-ylcarbonyl)pyrrolidin-1-yl]-2-cyclohexyl-ethanone

Systemtic Name: (2R)-2-azanyl-1-[(2S)-2-(1,3-benzothiazol-2-ylcarbonyl)pyrrolidin-1-yl]-2-cyclohexyl-ethanone Openeye Name: (2R)-2-amino-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-2-cyclohexyl-ethanone CAS Name: (2R)-2-amino-1-[(2S)-2-[1,3-benzothiazol-2-yl(oxo)methyl]-1-pyrrolidinyl]-2-cyclohexylethanone IUPAC Name: (2R)-2-amino-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-2-cyclohexylethanone Traditional Name: (2R)-2-amino-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidino]-2-cyclohexyl-ethanone Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)N2CCCC2C(=O)C3=NC4=CC=CC=C4S3)N

Isomeric SMILES

C1CCC(CC1)[C@H](C(=O)N2CCC[C@H]2C(=O)C3=NC4=CC=CC=C4S3)N

InChI

InChI=1S/C20H25N3O2S/c21-17(13-7-2-1-3-8-13)20(25)23-12-6-10-15(23)18(24)19-22-14-9-4-5-11-16(14)26-19/h4-5,9,11,13,15,17H,1-3,6-8,10,12,21H2/t15-,17+/m0/s1