N-[(2S,3R,5S)-1-(3-bromophenyl)-5-(3-methylbutylsulfanyl)-3-oxidanyl-hexan-2-yl]-3-methylsulfanyl-propanamide

Systemtic Name: N-[(2S,3R,5S)-1-(3-bromophenyl)-5-(3-methylbutylsulfanyl)-3-oxidanyl-hexan-2-yl]-3-methylsulfanyl-propanamide Openeye Name: N-[(1S,2R,4S)-1-[(3-bromophenyl)methyl]-2-hydroxy-4-isopentylsulfanyl-pentyl]-3-methylsulfanyl-propanamide CAS Name: N-[(2S,3R,5S)-1-(3-bromophenyl)-3-hydroxy-5-(3-methylbutylthio)hexan-2-yl]-3-(methylthio)propanamide IUPAC Name: N-[(2S,3R,5S)-1-(3-bromophenyl)-3-hydroxy-5-(3-methylbutylsulfanyl)hexan-2-yl]-3-methylsulfanylpropanamide Traditional Name: N-[(1S,2R,4S)-1-(3-bromobenzyl)-2-hydroxy-4-(isoamylthio)pentyl]-3-(methylthio)propionamide Formula: C21H34BrNO2S2 MolecularWeight: 476.53416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC(C)CC(C(CC1=CC(=CC=C1)Br)NC(=O)CCSC)O

Isomeric SMILES

C[C@@H](C[C@H]([C@H](CC1=CC(=CC=C1)Br)NC(=O)CCSC)O)SCCC(C)C

InChI

InChI=1S/C21H34BrNO2S2/c1-15(2)8-11-27-16(3)12-20(24)19(23-21(25)9-10-26-4)14-17-6-5-7-18(22)13-17/h5-7,13,15-16,19-20,24H,8-12,14H2,1-4H3,(H,23,25)/t16-,19-,20+/m0/s1