4-methyl-2-[3-oxidanylidene-4-[(3-phenyl-2-sulfanylidene-propanoyl)amino]-4,5-dihydro-1H-2-benzazepin-2-yl]pentanoic acid

Systemtic Name: 4-methyl-2-[3-oxidanylidene-4-[(3-phenyl-2-sulfanylidene-propanoyl)amino]-4,5-dihydro-1H-2-benzazepin-2-yl]pentanoic acid Openeye Name: 4-methyl-2-[3-oxo-4-[(3-phenyl-2-thioxo-propanoyl)amino]-4,5-dihydro-1H-2-benzazepin-2-yl]pentanoic acid CAS Name: 4-methyl-2-[3-oxo-4-[(1-oxo-3-phenyl-2-sulfanylidenepropyl)amino]-4,5-dihydro-1H-2-benzazepin-2-yl]pentanoic acid IUPAC Name: 4-methyl-2-[3-oxo-4-[(3-phenyl-2-sulfanylidenepropanoyl)amino]-4,5-dihydro-1H-2-benzazepin-2-yl]pentanoic acid Traditional Name: 2-[3-keto-4-[(3-phenyl-2-thioxo-propanoyl)amino]-4,5-dihydro-1H-2-benzazepin-2-yl]-4-methyl-valeric acid Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N1CC2=CC=CC=C2CC(C1=O)NC(=O)C(=S)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)O)N1CC2=CC=CC=C2CC(C1=O)NC(=O)C(=S)CC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O4S/c1-16(2)12-21(25(30)31)27-15-19-11-7-6-10-18(19)14-20(24(27)29)26-23(28)22(32)13-17-8-4-3-5-9-17/h3-11,16,20-21H,12-15H2,1-2H3,(H,26,28)(H,30,31)