3-methyl-N-[(2S)-1-[(7-methyl-6-oxidanylidene-7H-benzo[d][1]benzazepin-5-yl)amino]-1-oxidanylidene-propan-2-yl]-2-sulfanyl-butanamide

Systemtic Name: 3-methyl-N-[(2S)-1-[(7-methyl-6-oxidanylidene-7H-benzo[d][1]benzazepin-5-yl)amino]-1-oxidanylidene-propan-2-yl]-2-sulfanyl-butanamide Openeye Name: 3-methyl-N-[(1S)-1-methyl-2-[(7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl)amino]-2-oxo-ethyl]-2-sulfanyl-butanamide CAS Name: 2-mercapto-3-methyl-N-[(2S)-1-[(7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl)amino]-1-oxopropan-2-yl]butanamide IUPAC Name: 3-methyl-N-[(2S)-1-[(7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl)amino]-1-oxopropan-2-yl]-2-sulfanylbutanamide Traditional Name: N-[(1S)-2-keto-2-[(6-keto-7-methyl-7H-benzo[d][1]benzazepin-5-yl)amino]-1-methyl-ethyl]-2-mercapto-3-methyl-butyramide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2C3=CC=CC=C3N(C1=O)NC(=O)C(C)NC(=O)C(C(C)C)S

Isomeric SMILES

CC1C2=CC=CC=C2C3=CC=CC=C3N(C1=O)NC(=O)[C@H](C)NC(=O)C(C(C)C)S

InChI

InChI=1S/C23H27N3O3S/c1-13(2)20(30)22(28)24-15(4)21(27)25-26-19-12-8-7-11-18(19)17-10-6-5-9-16(17)14(3)23(26)29/h5-15,20,30H,1-4H3,(H,24,28)(H,25,27)/t14?,15-,20?/m0/s1