methyl (E,5S,6S,7S)-5-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanyl-8-phenyl-oct-3-enoate

Systemtic Name: methyl (E,5S,6S,7S)-5-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanyl-8-phenyl-oct-3-enoate Openeye Name: methyl (E,5S,6S,7S)-7-(tert-butoxycarbonylamino)-6-hydroxy-5-methyl-8-phenyl-oct-3-enoate CAS Name: (E,5S,6S,7S)-6-hydroxy-5-methyl-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-phenyl-3-octenoic acid methyl ester IUPAC Name: methyl (E,5S,6S,7S)-6-hydroxy-5-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-phenyloct-3-enoate Traditional Name: (E,5S,6S,7S)-7-(tert-butoxycarbonylamino)-6-hydroxy-5-methyl-8-phenyl-oct-3-enoic acid methyl ester Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO5/c1-15(10-9-13-18(23)26-5)19(24)17(14-16-11-7-6-8-12-16)22-20(25)27-21(2,3)4/h6-12,15,17,19,24H,13-14H2,1-5H3,(H,22,25)/b10-9+/t15-,17-,19-/m0/s1