N-[(2S)-1-[4-(2-methylpropyl)-3-oxidanylidene-6-phenylmethoxy-1,4-diazepan-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]ethanamide

Systemtic Name: N-[(2S)-1-[4-(2-methylpropyl)-3-oxidanylidene-6-phenylmethoxy-1,4-diazepan-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]ethanamide Openeye Name: N-[(1S)-1-(6-benzyloxy-4-isobutyl-3-oxo-1,4-diazepane-1-carbonyl)-3-methylsulfanyl-propyl]acetamide CAS Name: N-[(2S)-1-[4-(2-methylpropyl)-3-oxo-6-phenylmethoxy-1,4-diazepan-1-yl]-4-(methylthio)-1-oxobutan-2-yl]acetamide IUPAC Name: N-[(2S)-1-[4-(2-methylpropyl)-3-oxo-6-phenylmethoxy-1,4-diazepan-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]acetamide Traditional Name: N-[(1S)-1-(6-benzoxy-4-isobutyl-3-keto-1,4-diazepane-1-carbonyl)-3-(methylthio)propyl]acetamide Formula: C23H35N3O4S MolecularWeight: 449.6067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CN(CC1=O)C(=O)C(CCSC)NC(=O)C)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CN1CC(CN(CC1=O)C(=O)[C@H](CCSC)NC(=O)C)OCC2=CC=CC=C2

InChI

InChI=1S/C23H35N3O4S/c1-17(2)12-25-13-20(30-16-19-8-6-5-7-9-19)14-26(15-22(25)28)23(29)21(10-11-31-4)24-18(3)27/h5-9,17,20-21H,10-16H2,1-4H3,(H,24,27)/t20?,21-/m0/s1