tert-butyl (E)-7-[[(2S)-1-ethoxy-1-oxidanylidene-3-phenyl-propan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]hept-2-enoate

Systemtic Name: tert-butyl (E)-7-[[(2S)-1-ethoxy-1-oxidanylidene-3-phenyl-propan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]hept-2-enoate Openeye Name: tert-butyl (E)-7-[[(1S)-1-benzyl-2-ethoxy-2-oxo-ethyl]-tert-butoxycarbonyl-amino]hept-2-enoate CAS Name: (E)-7-[[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-heptenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-7-[[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]hept-2-enoate Traditional Name: (E)-7-[[(1S)-1-benzyl-2-ethoxy-2-keto-ethyl]-tert-butoxycarbonyl-amino]hept-2-enoic acid tert-butyl ester Formula: C27H41NO6 MolecularWeight: 475.61754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)N(CCCCC=CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H41NO6/c1-8-32-24(30)22(20-21-16-12-11-13-17-21)28(25(31)34-27(5,6)7)19-15-10-9-14-18-23(29)33-26(2,3)4/h11-14,16-18,22H,8-10,15,19-20H2,1-7H3/b18-14+/t22-/m0/s1