2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]hept-6-enoic acid

Systemtic Name: 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]hept-6-enoic acid Openeye Name: 2-[3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]hept-6-enoic acid CAS Name: 2-[2-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-phenylbutyl]-6-heptenoic acid IUPAC Name: 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]hept-6-enoic acid Traditional Name: 2-[3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]hept-6-enoic acid Formula: C22H33NO5 MolecularWeight: 391.50112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CC(CCCC=C)C(=O)O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CC(CCCC=C)C(=O)O)O

InChI

InChI=1S/C22H33NO5/c1-5-6-8-13-17(20(25)26)15-19(24)18(14-16-11-9-7-10-12-16)23-21(27)28-22(2,3)4/h5,7,9-12,17-19,24H,1,6,8,13-15H2,2-4H3,(H,23,27)(H,25,26)