tert-butyl N-[4-[[5-aminocarbonyl-1-(phenylmethyl)imidazol-4-yl]amino]-4-oxidanylidene-butyl]-N-methyl-carbamate

Systemtic Name: tert-butyl N-[4-[[5-aminocarbonyl-1-(phenylmethyl)imidazol-4-yl]amino]-4-oxidanylidene-butyl]-N-methyl-carbamate Openeye Name: tert-butyl N-[4-[(1-benzyl-5-carbamoyl-imidazol-4-yl)amino]-4-oxo-butyl]-N-methyl-carbamate CAS Name: N-[4-[[5-carbamoyl-1-(phenylmethyl)-4-imidazolyl]amino]-4-oxobutyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(1-benzyl-5-carbamoylimidazol-4-yl)amino]-4-oxobutyl]-N-methylcarbamate Traditional Name: N-[4-[(1-benzyl-5-carbamoyl-imidazol-4-yl)amino]-4-keto-butyl]-N-methyl-carbamic acid tert-butyl ester Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)CCCC(=O)NC1=C(N(C=N1)CC2=CC=CC=C2)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N(C)CCCC(=O)NC1=C(N(C=N1)CC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C21H29N5O4/c1-21(2,3)30-20(29)25(4)12-8-11-16(27)24-19-17(18(22)28)26(14-23-19)13-15-9-6-5-7-10-15/h5-7,9-10,14H,8,11-13H2,1-4H3,(H2,22,28)(H,24,27)