2-[[4-ethanoylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-6,6-dimethoxy-hexanoic acid

Systemtic Name: 2-[[4-ethanoylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-6,6-dimethoxy-hexanoic acid Openeye Name: 2-[[4-acetylsulfanyl-2-(benzyloxycarbonylamino)butanoyl]amino]-6,6-dimethoxy-hexanoic acid CAS Name: 2-[[4-(acetylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-6,6-dimethoxyhexanoic acid IUPAC Name: 2-[[4-acetylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-6,6-dimethoxyhexanoic acid Traditional Name: 2-[[4-(acetylthio)-2-(benzyloxycarbonylamino)butanoyl]amino]-6,6-dimethoxy-hexanoic acid Formula: C22H32N2O8S MolecularWeight: 484.56308

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(C(=O)NC(CCCC(OC)OC)C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(=O)SCCC(C(=O)NC(CCCC(OC)OC)C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C22H32N2O8S/c1-15(25)33-13-12-17(24-22(29)32-14-16-8-5-4-6-9-16)20(26)23-18(21(27)28)10-7-11-19(30-2)31-3/h4-6,8-9,17-19H,7,10-14H2,1-3H3,(H,23,26)(H,24,29)(H,27,28)