2-[1-(2-azanyloxy-2-oxidanylidene-ethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]-3-(piperidin-4-ylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[1-(2-azanyloxy-2-oxidanylidene-ethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]-3-(piperidin-4-ylmethylsulfanyl)propanoic acid Openeye Name: 2-[1-(2-aminooxy-2-oxo-ethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-(4-piperidylmethylsulfanyl)propanoic acid CAS Name: 2-[1-(2-aminooxy-2-oxoethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-(4-piperidinylmethylthio)propanoic acid IUPAC Name: 2-[1-(2-aminooxy-2-oxoethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-(piperidin-4-ylmethylsulfanyl)propanoic acid Traditional Name: 2-[1-(2-aminooxy-2-keto-ethyl)-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]-3-(4-piperidylmethylthio)propionic acid Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C1C(CSCC3CCNCC3)C(=O)O)CC(=O)ON

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)C1C(CSCC3CCNCC3)C(=O)O)CC(=O)ON

InChI

InChI=1S/C21H29N3O5S/c22-29-19(25)11-24-18-4-2-1-3-15(18)5-6-16(20(24)26)17(21(27)28)13-30-12-14-7-9-23-10-8-14/h1-4,14,16-17,23H,5-13,22H2,(H,27,28)