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

Systemtic Name: (2S)-2-azanyl-N-[(2S,3S)-1-cyclohexyl-3-oxidanyl-5-pyridin-2-ylsulfanyl-pentan-2-yl]-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-amino-N-[(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-4-(2-pyridylsulfanyl)butyl]-4-methylsulfanyl-butanamide CAS Name: (2S)-2-amino-N-[(2S,3S)-1-cyclohexyl-3-hydroxy-5-(2-pyridinylthio)pentan-2-yl]-4-(methylthio)butanamide IUPAC Name: (2S)-2-amino-N-[(2S,3S)-1-cyclohexyl-3-hydroxy-5-pyridin-2-ylsulfanylpentan-2-yl]-4-methylsulfanylbutanamide Traditional Name: (2S)-2-amino-N-[(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-4-(2-pyridylthio)butyl]-4-(methylthio)butyramide Formula: C21H35N3O2S2 MolecularWeight: 425.6515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O2S2/c1-27-13-10-17(22)21(26)24-18(15-16-7-3-2-4-8-16)19(25)11-14-28-20-9-5-6-12-23-20/h5-6,9,12,16-19,25H,2-4,7-8,10-11,13-15,22H2,1H3,(H,24,26)/t17-,18-,19-/m0/s1