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

Systemtic Name: tert-butyl (2S)-2-[[4-(4-azanyl-4-oxidanylidene-butoxy)-2-methoxy-phenyl]methyl-(2-nitrophenyl)carbonyl-amino]-3-methyl-butanoate Openeye Name: tert-butyl (2S)-2-[[4-(4-amino-4-oxo-butoxy)-2-methoxy-phenyl]methyl-(2-nitrobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[4-(4-amino-4-oxobutoxy)-2-methoxyphenyl]methyl-[(2-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[4-(4-amino-4-oxobutoxy)-2-methoxyphenyl]methyl-(2-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[[4-(4-amino-4-keto-butoxy)-2-methoxy-benzyl]-(2-nitrobenzoyl)amino]-3-methyl-butyric acid tert-butyl ester Formula: C28H37N3O8 MolecularWeight: 543.60868

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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=C2[N+](=O)[O-]

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=C2[N+](=O)[O-]

InChI

InChI=1S/C28H37N3O8/c1-18(2)25(27(34)39-28(3,4)5)30(26(33)21-10-7-8-11-22(21)31(35)36)17-19-13-14-20(16-23(19)37-6)38-15-9-12-24(29)32/h7-8,10-11,13-14,16,18,25H,9,12,15,17H2,1-6H3,(H2,29,32)/t25-/m0/s1