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

Systemtic Name: 2-[(3S)-3-[(2-methyl-3-phenyl-2-sulfanyl-propanoyl)amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[(3S)-3-[(2-methyl-3-phenyl-2-sulfanyl-propanoyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[(3S)-3-[(2-mercapto-2-methyl-1-oxo-3-phenylpropyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[(3S)-3-[(2-methyl-3-phenyl-2-sulfanylpropanoyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[(3S)-2-keto-3-[(2-mercapto-2-methyl-3-phenyl-propanoyl)amino]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)(C(=O)NC2CCC3=CC=CC=C3N(C2=O)CC(=O)O)S

Isomeric SMILES

CC(CC1=CC=CC=C1)(C(=O)N[C@H]2CCC3=CC=CC=C3N(C2=O)CC(=O)O)S

InChI

InChI=1S/C22H24N2O4S/c1-22(29,13-15-7-3-2-4-8-15)21(28)23-17-12-11-16-9-5-6-10-18(16)24(20(17)27)14-19(25)26/h2-10,17,29H,11-14H2,1H3,(H,23,28)(H,25,26)/t17-,22?/m0/s1