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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(CC2=CC=CC=C21)CC(=O)O)NC(=O)C(CC3=CC=CC=C3)S

Isomeric SMILES

C1[C@@H](C(=O)N(CC2=CC=CC=C21)CC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)S

InChI

InChI=1S/C21H22N2O4S/c24-19(25)13-23-12-16-9-5-4-8-15(16)11-17(21(23)27)22-20(26)18(28)10-14-6-2-1-3-7-14/h1-9,17-18,28H,10-13H2,(H,22,26)(H,24,25)/t17-,18-/m0/s1