2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]-5-piperidin-4-yl-pentanoic acid

Systemtic Name: 2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]-5-piperidin-4-yl-pentanoic acid Openeye Name: 2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-5-(4-piperidyl)pentanoic acid CAS Name: 2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]-5-(4-piperidinyl)pentanoic acid IUPAC Name: 2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-5-piperidin-4-ylpentanoic acid Traditional Name: 2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-5-(4-piperidyl)valeric acid Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCC(C(=O)O)NOC(=O)CN2C(=O)CCSC3=CC=CC=C32

Isomeric SMILES

C1CNCCC1CCCC(C(=O)O)NOC(=O)CN2C(=O)CCSC3=CC=CC=C32

InChI

InChI=1S/C21H29N3O5S/c25-19-10-13-30-18-7-2-1-6-17(18)24(19)14-20(26)29-23-16(21(27)28)5-3-4-15-8-11-22-12-9-15/h1-2,6-7,15-16,22-23H,3-5,8-14H2,(H,27,28)