tert-butyl (2S)-2-[[4-(4-azanyl-4-oxidanylidene-butoxy)-2-methoxy-phenyl]methyl-ethanoyl-amino]-3-methyl-butanoate

Systemtic Name: tert-butyl (2S)-2-[[4-(4-azanyl-4-oxidanylidene-butoxy)-2-methoxy-phenyl]methyl-ethanoyl-amino]-3-methyl-butanoate Openeye Name: tert-butyl (2S)-2-[acetyl-[[4-(4-amino-4-oxo-butoxy)-2-methoxy-phenyl]methyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[acetyl-[[4-(4-amino-4-oxobutoxy)-2-methoxyphenyl]methyl]amino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[acetyl-[[4-(4-amino-4-oxobutoxy)-2-methoxyphenyl]methyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[acetyl-[4-(4-amino-4-keto-butoxy)-2-methoxy-benzyl]amino]-3-methyl-butyric acid tert-butyl ester Formula: C23H36N2O6 MolecularWeight: 436.54174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N2O6/c1-15(2)21(22(28)31-23(4,5)6)25(16(3)26)14-17-10-11-18(13-19(17)29-7)30-12-8-9-20(24)27/h10-11,13,15,21H,8-9,12,14H2,1-7H3,(H2,24,27)/t21-/m0/s1