(2S,3R,5S)-2-azanyl-1-(3-bromophenyl)-5-(3-methylbutylsulfanyl)hexan-3-ol

Systemtic Name: (2S,3R,5S)-2-azanyl-1-(3-bromophenyl)-5-(3-methylbutylsulfanyl)hexan-3-ol Openeye Name: (2S,3R,5S)-2-amino-1-(3-bromophenyl)-5-isopentylsulfanyl-hexan-3-ol CAS Name: (2S,3R,5S)-2-amino-1-(3-bromophenyl)-5-(3-methylbutylthio)-3-hexanol IUPAC Name: (2S,3R,5S)-2-amino-1-(3-bromophenyl)-5-(3-methylbutylsulfanyl)hexan-3-ol Traditional Name: (2S,3R,5S)-2-amino-1-(3-bromophenyl)-5-(isoamylthio)hexan-3-ol Formula: C17H28BrNOS MolecularWeight: 374.37932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28BrNOS/c1-12(2)7-8-21-13(3)9-17(20)16(19)11-14-5-4-6-15(18)10-14/h4-6,10,12-13,16-17,20H,7-9,11,19H2,1-3H3/t13-,16-,17+/m0/s1