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

Systemtic Name: 2-[[1-(carboxymethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-(2-piperidin-4-ylethylsulfanyl)butanoic acid Openeye Name: 2-[[1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-[2-(4-piperidyl)ethylsulfanyl]butanoic acid CAS Name: 2-[[1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-[2-(4-piperidinyl)ethylthio]butanoic acid IUPAC Name: 2-[[1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-(2-piperidin-4-ylethylsulfanyl)butanoic acid Traditional Name: 2-[[1-(carboxymethyl)-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-[2-(4-piperidyl)ethylthio]butyric acid Formula: C23H33N3O5S MolecularWeight: 463.59022

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C1NC(CCSCCC3CCNCC3)C(=O)O)CC(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)C1NC(CCSCCC3CCNCC3)C(=O)O)CC(=O)O

InChI

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