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

Systemtic Name: 2-[[1-(carboxymethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-3-(3-piperidin-4-ylpropylsulfanyl)propanoic acid Openeye Name: 2-[[1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-3-[3-(4-piperidyl)propylsulfanyl]propanoic acid CAS Name: 2-[[1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-3-[3-(4-piperidinyl)propylthio]propanoic acid IUPAC Name: 2-[[1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-3-(3-piperidin-4-ylpropylsulfanyl)propanoic acid Traditional Name: 2-[[1-(carboxymethyl)-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-3-[3-(4-piperidyl)propylthio]propionic acid Formula: C23H33N3O5S MolecularWeight: 463.59022

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C1NC(CSCCCC3CCNCC3)C(=O)O)CC(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)C1NC(CSCCCC3CCNCC3)C(=O)O)CC(=O)O

InChI

InChI=1S/C23H33N3O5S/c27-21(28)14-26-20-6-2-1-5-17(20)7-8-18(22(26)29)25-19(23(30)31)15-32-13-3-4-16-9-11-24-12-10-16/h1-2,5-6,16,18-19,24-25H,3-4,7-15H2,(H,27,28)(H,30,31)