tert-butyl (E,4S,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanyl-6-phenyl-hex-2-enoate

Systemtic Name: tert-butyl (E,4S,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanyl-6-phenyl-hex-2-enoate Openeye Name: tert-butyl (E,4S,5S)-5-(tert-butoxycarbonylamino)-4-hydroxy-6-phenyl-hex-2-enoate CAS Name: (E,4S,5S)-4-hydroxy-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-phenyl-2-hexenoic acid tert-butyl ester IUPAC Name: tert-butyl (E,4S,5S)-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-2-enoate Traditional Name: (E,4S,5S)-5-(tert-butoxycarbonylamino)-4-hydroxy-6-phenyl-hex-2-enoic acid tert-butyl ester Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)/C=C/[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C21H31NO5/c1-20(2,3)26-18(24)13-12-17(23)16(14-15-10-8-7-9-11-15)22-19(25)27-21(4,5)6/h7-13,16-17,23H,14H2,1-6H3,(H,22,25)/b13-12+/t16-,17-/m0/s1