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

Systemtic Name: (2S)-2-azanyl-N-[(2S,3S)-1-cyclohexyl-3-oxidanyl-5-pyridin-2-ylsulfanyl-pentan-2-yl]propanamide Openeye Name: (2S)-2-amino-N-[(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-4-(2-pyridylsulfanyl)butyl]propanamide CAS Name: (2S)-2-amino-N-[(2S,3S)-1-cyclohexyl-3-hydroxy-5-(2-pyridinylthio)pentan-2-yl]propanamide IUPAC Name: (2S)-2-amino-N-[(2S,3S)-1-cyclohexyl-3-hydroxy-5-pyridin-2-ylsulfanylpentan-2-yl]propanamide Traditional Name: (2S)-2-amino-N-[(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-4-(2-pyridylthio)butyl]propionamide Formula: C19H31N3O2S MolecularWeight: 365.53334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O2S/c1-14(20)19(24)22-16(13-15-7-3-2-4-8-15)17(23)10-12-25-18-9-5-6-11-21-18/h5-6,9,11,14-17,23H,2-4,7-8,10,12-13,20H2,1H3,(H,22,24)/t14-,16-,17-/m0/s1