2-[3-[(2-ethanoylsulfanyl-4-methyl-pentanoyl)amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(2-ethanoylsulfanyl-4-methyl-pentanoyl)amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-[(2-acetylsulfanyl-4-methyl-pentanoyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-[[2-(acetylthio)-4-methyl-1-oxopentyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-[(2-acetylsulfanyl-4-methylpentanoyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-[[2-(acetylthio)-4-methyl-pentanoyl]amino]-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCC2=CC=CC=C2N(C1=O)CC(=O)O)SC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)NC1CCC2=CC=CC=C2N(C1=O)CC(=O)O)SC(=O)C

InChI

InChI=1S/C20H26N2O5S/c1-12(2)10-17(28-13(3)23)19(26)21-15-9-8-14-6-4-5-7-16(14)22(20(15)27)11-18(24)25/h4-7,12,15,17H,8-11H2,1-3H3,(H,21,26)(H,24,25)