2-[(3R)-3-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid

Systemtic Name: 2-[(3R)-3-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid Openeye Name: 2-[(3R)-3-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid CAS Name: 2-[(3R)-3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid IUPAC Name: 2-[(3R)-3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Traditional Name: 2-[(3R)-3-[(1-carbethoxy-3-phenyl-propyl)amino]-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC3=CC=CC=C3N(C2=O)CC(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)N[C@H]2CSC3=CC=CC=C3N(C2=O)CC(=O)O

InChI

InChI=1S/C23H26N2O5S/c1-2-30-23(29)17(13-12-16-8-4-3-5-9-16)24-18-15-31-20-11-7-6-10-19(20)25(22(18)28)14-21(26)27/h3-11,17-18,24H,2,12-15H2,1H3,(H,26,27)/t17?,18-/m0/s1