4-oxidanylidene-4-[[(6S)-6-phenyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[(6S)-6-phenyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]butanoic acid Openeye Name: 4-[[(6S)-3-isopropoxycarbonyl-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[[(6S)-3-[oxo(propan-2-yloxy)methyl]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]butanoic acid IUPAC Name: 4-oxo-4-[[(6S)-6-phenyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]butanoic acid Traditional Name: 4-[[(6S)-3-isopropoxycarbonyl-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-keto-butyric acid Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCC(=O)O

Isomeric SMILES

CC(C)OC(=O)C1=C(SC2=C1CC[C@@H](C2)C3=CC=CC=C3)NC(=O)CCC(=O)O

InChI

InChI=1S/C22H25NO5S/c1-13(2)28-22(27)20-16-9-8-15(14-6-4-3-5-7-14)12-17(16)29-21(20)23-18(24)10-11-19(25)26/h3-7,13,15H,8-12H2,1-2H3,(H,23,24)(H,25,26)/t15-/m0/s1