N-[(3S)-3-azanyl-4-fluoranyl-butyl]-N-[1-[4-(3-fluorophenyl)-1-(phenylmethyl)imidazol-2-yl]-2,2-dimethyl-propyl]-1,1-bis(oxidanylidene)-1,4-thiazinane-4-carboxamide

Systemtic Name: N-[(3S)-3-azanyl-4-fluoranyl-butyl]-N-[1-[4-(3-fluorophenyl)-1-(phenylmethyl)imidazol-2-yl]-2,2-dimethyl-propyl]-1,1-bis(oxidanylidene)-1,4-thiazinane-4-carboxamide Openeye Name: N-[(3S)-3-amino-4-fluoro-butyl]-N-[1-[1-benzyl-4-(3-fluorophenyl)imidazol-2-yl]-2,2-dimethyl-propyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide CAS Name: N-[(3S)-3-amino-4-fluorobutyl]-N-[1-[4-(3-fluorophenyl)-1-(phenylmethyl)-2-imidazolyl]-2,2-dimethylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide IUPAC Name: N-[(3S)-3-amino-4-fluorobutyl]-N-[1-[1-benzyl-4-(3-fluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide Traditional Name: N-[(3S)-3-amino-4-fluoro-butyl]-N-[1-[1-benzyl-4-(3-fluorophenyl)imidazol-2-yl]-2,2-dimethyl-propyl]-1,1-diketo-1,4-thiazinane-4-carboxamide Formula: C30H39F2N5O3S MolecularWeight: 587.724166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1=NC(=CN1CC2=CC=CC=C2)C3=CC(=CC=C3)F)N(CCC(CF)N)C(=O)N4CCS(=O)(=O)CC4

Isomeric SMILES

CC(C)(C)C(C1=NC(=CN1CC2=CC=CC=C2)C3=CC(=CC=C3)F)N(CC[C@@H](CF)N)C(=O)N4CCS(=O)(=O)CC4

InChI

InChI=1S/C30H39F2N5O3S/c1-30(2,3)27(37(13-12-25(33)19-31)29(38)35-14-16-41(39,40)17-15-35)28-34-26(23-10-7-11-24(32)18-23)21-36(28)20-22-8-5-4-6-9-22/h4-11,18,21,25,27H,12-17,19-20,33H2,1-3H3/t25-,27?/m0/s1