methyl (E,3S)-3-[(1S)-2-acetyloxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-phenyl-pent-4-enoate

Systemtic Name: methyl (E,3S)-3-[(1S)-2-acetyloxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-phenyl-pent-4-enoate Openeye Name: methyl (E,3S)-3-[(1S)-2-acetoxy-1-(tert-butoxycarbonylamino)ethyl]-5-phenyl-pent-4-enoate CAS Name: (E,3S)-3-[(1S)-2-acetyloxy-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]-5-phenyl-4-pentenoic acid methyl ester IUPAC Name: methyl (E,3S)-3-[(1S)-2-acetyloxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-phenylpent-4-enoate Traditional Name: (E,3S)-3-[(1S)-2-acetoxy-1-(tert-butoxycarbonylamino)ethyl]-5-phenyl-pent-4-enoic acid methyl ester Formula: C21H29NO6 MolecularWeight: 391.45806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO6/c1-15(23)27-14-18(22-20(25)28-21(2,3)4)17(13-19(24)26-5)12-11-16-9-7-6-8-10-16/h6-12,17-18H,13-14H2,1-5H3,(H,22,25)/b12-11+/t17-,18-/m1/s1