2-[[5-(carboxymethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-6-piperidin-4-yl-hexanoic acid

Systemtic Name: 2-[[5-(carboxymethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-6-piperidin-4-yl-hexanoic acid Openeye Name: 2-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-6-(4-piperidyl)hexanoic acid CAS Name: 2-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-6-(4-piperidinyl)hexanoic acid IUPAC Name: 2-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-6-piperidin-4-ylhexanoic acid Traditional Name: 2-[[5-(carboxymethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-6-(4-piperidyl)hexanoic acid Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCCC(C(=O)O)NC2CSC3=CC=CC=C3N(C2=O)CC(=O)O

Isomeric SMILES

C1CNCCC1CCCCC(C(=O)O)NC2CSC3=CC=CC=C3N(C2=O)CC(=O)O

InChI

InChI=1S/C22H31N3O5S/c26-20(27)13-25-18-7-3-4-8-19(18)31-14-17(21(25)28)24-16(22(29)30)6-2-1-5-15-9-11-23-12-10-15/h3-4,7-8,15-17,23-24H,1-2,5-6,9-14H2,(H,26,27)(H,29,30)