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

Systemtic Name: 2-[(3S)-2-oxidanylidene-3-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[(3S)-2-oxo-3-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[(3S)-3-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[(3S)-2-oxo-3-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[(3S)-2-keto-3-[[(2S)-2-mercapto-3-phenyl-propanoyl]amino]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C1NC(=O)C(CC3=CC=CC=C3)S)CC(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)[C@H]1NC(=O)[C@H](CC3=CC=CC=C3)S)CC(=O)O

InChI

InChI=1S/C21H22N2O4S/c24-19(25)13-23-17-9-5-4-8-15(17)10-11-16(21(23)27)22-20(26)18(28)12-14-6-2-1-3-7-14/h1-9,16,18,28H,10-13H2,(H,22,26)(H,24,25)/t16-,18-/m0/s1