2-[[5-(carboxymethyl)-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]decanoic acid

Systemtic Name: 2-[[5-(carboxymethyl)-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]decanoic acid Openeye Name: 2-[[5-(carboxymethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]decanoic acid CAS Name: 2-[[5-(carboxymethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]decanoic acid IUPAC Name: 2-[[5-(carboxymethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]decanoic acid Traditional Name: 2-[[5-(carboxymethyl)-4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]capric acid Formula: C27H34N2O5S MolecularWeight: 498.63426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)O)NC1C(SC2=CC=CC=C2N(C1=O)CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC(C(=O)O)NC1C(SC2=CC=CC=C2N(C1=O)CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C27H34N2O5S/c1-2-3-4-5-6-10-15-20(27(33)34)28-24-25(19-13-8-7-9-14-19)35-22-17-12-11-16-21(22)29(26(24)32)18-23(30)31/h7-9,11-14,16-17,20,24-25,28H,2-6,10,15,18H2,1H3,(H,30,31)(H,33,34)