tert-butyl 4-azanyl-4-methyl-2-[[5-(4-nitrophenyl)-3-oxidanyl-pentanoyl]amino]pentanoate

Systemtic Name: tert-butyl 4-azanyl-4-methyl-2-[[5-(4-nitrophenyl)-3-oxidanyl-pentanoyl]amino]pentanoate Openeye Name: tert-butyl 4-amino-2-[[3-hydroxy-5-(4-nitrophenyl)pentanoyl]amino]-4-methyl-pentanoate CAS Name: 4-amino-2-[[3-hydroxy-5-(4-nitrophenyl)-1-oxopentyl]amino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-2-[[3-hydroxy-5-(4-nitrophenyl)pentanoyl]amino]-4-methylpentanoate Traditional Name: 4-amino-2-[[3-hydroxy-5-(4-nitrophenyl)pentanoyl]amino]-4-methyl-valeric acid tert-butyl ester Formula: C21H33N3O6 MolecularWeight: 423.50322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC(C)(C)N)NC(=O)CC(CCC1=CC=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)OC(=O)C(CC(C)(C)N)NC(=O)CC(CCC1=CC=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C21H33N3O6/c1-20(2,3)30-19(27)17(13-21(4,5)22)23-18(26)12-16(25)11-8-14-6-9-15(10-7-14)24(28)29/h6-7,9-10,16-17,25H,8,11-13,22H2,1-5H3,(H,23,26)