tert-butyl (2S)-2-[[3-acetamido-4-(2,6-ditert-butyl-4-methoxy-phenoxy)-4-oxidanylidene-butyl]-ethanoyl-amino]-4-methyl-pentanoate

Systemtic Name: tert-butyl (2S)-2-[[3-acetamido-4-(2,6-ditert-butyl-4-methoxy-phenoxy)-4-oxidanylidene-butyl]-ethanoyl-amino]-4-methyl-pentanoate Openeye Name: tert-butyl (2S)-2-[[3-acetamido-4-(2,6-ditert-butyl-4-methoxy-phenoxy)-4-oxo-butyl]-acetyl-amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[3-acetamido-4-(2,6-ditert-butyl-4-methoxyphenoxy)-4-oxobutyl]-acetylamino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[3-acetamido-4-(2,6-ditert-butyl-4-methoxyphenoxy)-4-oxobutyl]-acetylamino]-4-methylpentanoate Traditional Name: (2S)-2-[[3-acetamido-4-(2,6-ditert-butyl-4-methoxy-phenoxy)-4-keto-butyl]-acetyl-amino]-4-methyl-valeric acid tert-butyl ester Formula: C33H54N2O7 MolecularWeight: 590.79106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC(C)(C)C)N(CCC(C(=O)OC1=C(C=C(C=C1C(C)(C)C)OC)C(C)(C)C)NC(=O)C)C(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC(C)(C)C)N(CCC(C(=O)OC1=C(C=C(C=C1C(C)(C)C)OC)C(C)(C)C)NC(=O)C)C(=O)C

InChI

InChI=1S/C33H54N2O7/c1-20(2)17-27(30(39)42-33(11,12)13)35(22(4)37)16-15-26(34-21(3)36)29(38)41-28-24(31(5,6)7)18-23(40-14)19-25(28)32(8,9)10/h18-20,26-27H,15-17H2,1-14H3,(H,34,36)/t26?,27-/m0/s1