2-acetamido-3-[(11-aminocarbonyl-3-oxidanyl-2,3-dihydrobenzo[b][1]benzazepin-2-yl)sulfanyl]propanoic acid

Systemtic Name: 2-acetamido-3-[(11-aminocarbonyl-3-oxidanyl-2,3-dihydrobenzo[b][1]benzazepin-2-yl)sulfanyl]propanoic acid Openeye Name: 2-acetamido-3-[(11-carbamoyl-3-hydroxy-2,3-dihydrobenzo[b][1]benzazepin-2-yl)sulfanyl]propanoic acid CAS Name: 2-acetamido-3-[(11-carbamoyl-3-hydroxy-2,3-dihydrobenzo[b][1]benzazepin-2-yl)thio]propanoic acid IUPAC Name: 2-acetamido-3-[(11-carbamoyl-3-hydroxy-2,3-dihydrobenzo[b][1]benzazepin-2-yl)sulfanyl]propanoic acid Traditional Name: 2-acetamido-3-[(11-carbamoyl-3-hydroxy-2,3-dihydrobenzo[b][1]benzazepin-2-yl)thio]propionic acid Formula: C20H21N3O5S MolecularWeight: 415.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1C=C2C(=CC1O)C=CC3=CC=CC=C3N2C(=O)N)C(=O)O

Isomeric SMILES

CC(=O)NC(CSC1C=C2C(=CC1O)C=CC3=CC=CC=C3N2C(=O)N)C(=O)O

InChI

InChI=1S/C20H21N3O5S/c1-11(24)22-14(19(26)27)10-29-18-9-16-13(8-17(18)25)7-6-12-4-2-3-5-15(12)23(16)20(21)28/h2-9,14,17-18,25H,10H2,1H3,(H2,21,28)(H,22,24)(H,26,27)