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

Systemtic Name: 2-[[3-(carboxymethyl)-4-oxidanylidene-2-phenyl-2,5-dihydro-1,5-benzothiazepin-3-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[3-(carboxymethyl)-4-oxo-2-phenyl-2,5-dihydro-1,5-benzothiazepin-3-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[3-(carboxymethyl)-4-oxo-2-phenyl-2,5-dihydro-1,5-benzothiazepin-3-yl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[3-(carboxymethyl)-4-oxo-2-phenyl-2,5-dihydro-1,5-benzothiazepin-3-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[3-(carboxymethyl)-4-keto-2-phenyl-2,5-dihydro-1,5-benzothiazepin-3-yl]amino]-4-phenyl-butyric acid Formula: C27H26N2O5S MolecularWeight: 490.57074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)O)NC2(C(SC3=CC=CC=C3NC2=O)C4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)O)NC2(C(SC3=CC=CC=C3NC2=O)C4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C27H26N2O5S/c30-23(31)17-27(29-21(25(32)33)16-15-18-9-3-1-4-10-18)24(19-11-5-2-6-12-19)35-22-14-8-7-13-20(22)28-26(27)34/h1-14,21,24,29H,15-17H2,(H,28,34)(H,30,31)(H,32,33)