tert-butyl (E,2R,3S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-3-oxidanyl-octadec-4-enoate

Systemtic Name: tert-butyl (E,2R,3S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-3-oxidanyl-octadec-4-enoate Openeye Name: tert-butyl (E,2R,3S)-2-[benzyl(tert-butoxycarbonyl)amino]-3-hydroxy-octadec-4-enoate CAS Name: (E,2R,3S)-3-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]-4-octadecenoic acid tert-butyl ester IUPAC Name: tert-butyl (E,2R,3S)-2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxyoctadec-4-enoate Traditional Name: (E,2R,3S)-2-[benzyl(tert-butoxycarbonyl)amino]-3-hydroxy-octadec-4-enoic acid tert-butyl ester Formula: C34H57NO5 MolecularWeight: 559.82008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(C(=O)OC(C)(C)C)N(CC1=CC=CC=C1)C(=O)OC(C)(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C34H57NO5/c1-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29(36)30(31(37)39-33(2,3)4)35(32(38)40-34(5,6)7)27-28-24-21-20-22-25-28/h20-26,29-30,36H,8-19,27H2,1-7H3/b26-23+/t29-,30+/m0/s1