cyclohexyl 2-acetamido-4-(1,2-benzodiazepin-1-yl)-4-methylsulfanyl-butanoate

Systemtic Name: cyclohexyl 2-acetamido-4-(1,2-benzodiazepin-1-yl)-4-methylsulfanyl-butanoate Openeye Name: cyclohexyl 2-acetamido-4-(1,2-benzodiazepin-1-yl)-4-methylsulfanyl-butanoate CAS Name: 2-acetamido-4-(1,2-benzodiazepin-1-yl)-4-(methylthio)butanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-acetamido-4-(1,2-benzodiazepin-1-yl)-4-methylsulfanylbutanoate Traditional Name: 2-acetamido-4-(1,2-benzodiazepin-1-yl)-4-(methylthio)butyric acid cyclohexyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(N1C2=CC=CC=C2C=CC=N1)SC)C(=O)OC3CCCCC3

Isomeric SMILES

CC(=O)NC(CC(N1C2=CC=CC=C2C=CC=N1)SC)C(=O)OC3CCCCC3

InChI

InChI=1S/C22H29N3O3S/c1-16(26)24-19(22(27)28-18-11-4-3-5-12-18)15-21(29-2)25-20-13-7-6-9-17(20)10-8-14-23-25/h6-10,13-14,18-19,21H,3-5,11-12,15H2,1-2H3,(H,24,26)