(2S)-2-(2-bromanylethanoylamino)-3-methyl-3-(phenylmethylsulfanyl)-N-propan-2-yl-butanamide

Systemtic Name: (2S)-2-(2-bromanylethanoylamino)-3-methyl-3-(phenylmethylsulfanyl)-N-propan-2-yl-butanamide Openeye Name: (2S)-3-benzylsulfanyl-2-[(2-bromoacetyl)amino]-N-isopropyl-3-methyl-butanamide CAS Name: (2S)-2-[(2-bromo-1-oxoethyl)amino]-3-methyl-3-(phenylmethylthio)-N-propan-2-ylbutanamide IUPAC Name: (2S)-3-benzylsulfanyl-2-[(2-bromoacetyl)amino]-3-methyl-N-propan-2-ylbutanamide Traditional Name: (2S)-3-(benzylthio)-2-[(2-bromoacetyl)amino]-N-isopropyl-3-methyl-butyramide Formula: C17H25BrN2O2S MolecularWeight: 401.3616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C(C)(C)SCC1=CC=CC=C1)NC(=O)CBr

Isomeric SMILES

CC(C)NC(=O)[C@@H](C(C)(C)SCC1=CC=CC=C1)NC(=O)CBr

InChI

InChI=1S/C17H25BrN2O2S/c1-12(2)19-16(22)15(20-14(21)10-18)17(3,4)23-11-13-8-6-5-7-9-13/h5-9,12,15H,10-11H2,1-4H3,(H,19,22)(H,20,21)/t15-/m0/s1