(2R)-2-azanyl-N-[(2S,3S)-1-cyclohexyl-3-oxidanyl-5-pyridin-2-ylsulfanyl-pentan-2-yl]-3-methylsulfanyl-propanamide

Systemtic Name: (2R)-2-azanyl-N-[(2S,3S)-1-cyclohexyl-3-oxidanyl-5-pyridin-2-ylsulfanyl-pentan-2-yl]-3-methylsulfanyl-propanamide Openeye Name: (2R)-2-amino-N-[(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-4-(2-pyridylsulfanyl)butyl]-3-methylsulfanyl-propanamide CAS Name: (2R)-2-amino-N-[(2S,3S)-1-cyclohexyl-3-hydroxy-5-(2-pyridinylthio)pentan-2-yl]-3-(methylthio)propanamide IUPAC Name: (2R)-2-amino-N-[(2S,3S)-1-cyclohexyl-3-hydroxy-5-pyridin-2-ylsulfanylpentan-2-yl]-3-methylsulfanylpropanamide Traditional Name: (2R)-2-amino-N-[(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-4-(2-pyridylthio)butyl]-3-(methylthio)propionamide Formula: C20H33N3O2S2 MolecularWeight: 411.62492

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)NC(CC1CCCCC1)C(CCSC2=CC=CC=N2)O)N

Isomeric SMILES

CSC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](CCSC2=CC=CC=N2)O)N

InChI

InChI=1S/C20H33N3O2S2/c1-26-14-16(21)20(25)23-17(13-15-7-3-2-4-8-15)18(24)10-12-27-19-9-5-6-11-22-19/h5-6,9,11,15-18,24H,2-4,7-8,10,12-14,21H2,1H3,(H,23,25)/t16-,17-,18-/m0/s1