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

Systemtic Name: 2-[2-[[1-(carboxymethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]amino]ethylsulfanyl]-3-phenyl-propanoic acid Openeye Name: 2-[2-[[1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]ethylsulfanyl]-3-phenyl-propanoic acid CAS Name: 2-[2-[[1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]ethylthio]-3-phenylpropanoic acid IUPAC Name: 2-[2-[[1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]ethylsulfanyl]-3-phenylpropanoic acid Traditional Name: 2-[2-[[1-(carboxymethyl)-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]amino]ethylthio]-3-phenyl-propionic acid Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C1NCCSC(CC3=CC=CC=C3)C(=O)O)CC(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)C1NCCSC(CC3=CC=CC=C3)C(=O)O)CC(=O)O

InChI

InChI=1S/C23H26N2O5S/c26-21(27)15-25-19-9-5-4-8-17(19)10-11-18(22(25)28)24-12-13-31-20(23(29)30)14-16-6-2-1-3-7-16/h1-9,18,20,24H,10-15H2,(H,26,27)(H,29,30)