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

Systemtic Name: 2-[[1-(carboxymethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-3-piperidin-4-ylsulfanyl-propanoic acid Openeye Name: 2-[[1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-3-(4-piperidylsulfanyl)propanoic acid CAS Name: 2-[[1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-3-(4-piperidinylthio)propanoic acid IUPAC Name: 2-[[1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-3-piperidin-4-ylsulfanylpropanoic acid Traditional Name: 2-[[1-(carboxymethyl)-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-3-(4-piperidylthio)propionic acid Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C1NC(CSC3CCNCC3)C(=O)O)CC(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)C1NC(CSC3CCNCC3)C(=O)O)CC(=O)O

InChI

InChI=1S/C20H27N3O5S/c24-18(25)11-23-17-4-2-1-3-13(17)5-6-15(19(23)26)22-16(20(27)28)12-29-14-7-9-21-10-8-14/h1-4,14-16,21-22H,5-12H2,(H,24,25)(H,27,28)