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

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

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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c25-20(26)12-13-24-18-9-5-4-8-16(18)10-11-17(22(24)28)23-21(27)19(29)14-15-6-2-1-3-7-15/h1-9,17,19,29H,10-14H2,(H,23,27)(H,25,26)/t17-,19-/m0/s1