[(2-ethanoylsulfanyl-3-methyl-pentanoyl)amino] 2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoate

Systemtic Name: [(2-ethanoylsulfanyl-3-methyl-pentanoyl)amino] 2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoate Openeye Name: [(2-acetylsulfanyl-3-methyl-pentanoyl)amino] 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetate CAS Name: 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetic acid [[2-(acetylthio)-3-methyl-1-oxopentyl]amino] ester IUPAC Name: [(2-acetylsulfanyl-3-methylpentanoyl)amino] 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetate Traditional Name: 2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetic acid [[2-(acetylthio)-3-methyl-pentanoyl]amino] ester Formula: C19H24N2O6S MolecularWeight: 408.46866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NOC(=O)CN1C(=O)CCOC2=CC=CC=C21)SC(=O)C

Isomeric SMILES

CCC(C)C(C(=O)NOC(=O)CN1C(=O)CCOC2=CC=CC=C21)SC(=O)C

InChI

InChI=1S/C19H24N2O6S/c1-4-12(2)18(28-13(3)22)19(25)20-27-17(24)11-21-14-7-5-6-8-15(14)26-10-9-16(21)23/h5-8,12,18H,4,9-11H2,1-3H3,(H,20,25)