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

Systemtic Name: tert-butyl (2S)-2-[[4-(4-azanyl-4-oxidanylidene-butoxy)-2-methoxy-phenyl]methyl-(2-methoxyphenyl)carbonyl-amino]-3-methyl-butanoate Openeye Name: tert-butyl (2S)-2-[[4-(4-amino-4-oxo-butoxy)-2-methoxy-phenyl]methyl-(2-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[4-(4-amino-4-oxobutoxy)-2-methoxyphenyl]methyl-[(2-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[4-(4-amino-4-oxobutoxy)-2-methoxyphenyl]methyl-(2-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[[4-(4-amino-4-keto-butoxy)-2-methoxy-benzyl]-o-anisoyl-amino]-3-methyl-butyric acid tert-butyl ester Formula: C29H40N2O7 MolecularWeight: 528.6371

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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)C2=CC=CC=C2OC

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)C2=CC=CC=C2OC

InChI

InChI=1S/C29H40N2O7/c1-19(2)26(28(34)38-29(3,4)5)31(27(33)22-11-8-9-12-23(22)35-6)18-20-14-15-21(17-24(20)36-7)37-16-10-13-25(30)32/h8-9,11-12,14-15,17,19,26H,10,13,16,18H2,1-7H3,(H2,30,32)/t26-/m0/s1