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

Systemtic Name: 2-[[(3R)-5-(carboxymethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[(3R)-5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[(3R)-5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[(3R)-5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[(3R)-5-(carboxymethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-4-phenyl-butyric acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C2=CC=CC=C2S1)CC(=O)O)NC(CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1[C@@H](C(=O)N(C2=CC=CC=C2S1)CC(=O)O)NC(CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H22N2O5S/c24-19(25)12-23-17-8-4-5-9-18(17)29-13-16(20(23)26)22-15(21(27)28)11-10-14-6-2-1-3-7-14/h1-9,15-16,22H,10-13H2,(H,24,25)(H,27,28)/t15?,16-/m0/s1