(2R)-2-azanyl-N-[(2S,3S)-1-cyclohexyl-3-oxidanyl-5-pyridin-4-ylsulfanyl-pentan-2-yl]-3-methylsulfanyl-propanamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)NC(CC1CCCCC1)C(CCSC2=CC=NC=C2)O)N

Isomeric SMILES

CSC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](CCSC2=CC=NC=C2)O)N

InChI

InChI=1S/C20H33N3O2S2/c1-26-14-17(21)20(25)23-18(13-15-5-3-2-4-6-15)19(24)9-12-27-16-7-10-22-11-8-16/h7-8,10-11,15,17-19,24H,2-6,9,12-14,21H2,1H3,(H,23,25)/t17-,18-,19-/m0/s1