tert-butyl 2-[[2-[2-acetamidoethanoyl-[(2-nitrophenyl)methyl]amino]-3-methyl-butanoyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[[2-[2-acetamidoethanoyl-[(2-nitrophenyl)methyl]amino]-3-methyl-butanoyl]amino]ethanoate Openeye Name: tert-butyl 2-[[2-[(2-acetamidoacetyl)-[(2-nitrophenyl)methyl]amino]-3-methyl-butanoyl]amino]acetate CAS Name: 2-[[2-[(2-acetamido-1-oxoethyl)-[(2-nitrophenyl)methyl]amino]-3-methyl-1-oxobutyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-[(2-acetamidoacetyl)-[(2-nitrophenyl)methyl]amino]-3-methylbutanoyl]amino]acetate Traditional Name: 2-[[2-[(2-acetamidoacetyl)-(2-nitrobenzyl)amino]-3-methyl-butanoyl]amino]acetic acid tert-butyl ester Formula: C22H32N4O7 MolecularWeight: 464.51208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)OC(C)(C)C)N(CC1=CC=CC=C1[N+](=O)[O-])C(=O)CNC(=O)C

Isomeric SMILES

CC(C)C(C(=O)NCC(=O)OC(C)(C)C)N(CC1=CC=CC=C1[N+](=O)[O-])C(=O)CNC(=O)C

InChI

InChI=1S/C22H32N4O7/c1-14(2)20(21(30)24-12-19(29)33-22(4,5)6)25(18(28)11-23-15(3)27)13-16-9-7-8-10-17(16)26(31)32/h7-10,14,20H,11-13H2,1-6H3,(H,23,27)(H,24,30)