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

Systemtic Name: tert-butyl N-[4-[[5-aminocarbonyl-1-(phenylmethyl)imidazol-4-yl]amino]-4-oxidanylidene-butyl]carbamate Openeye Name: tert-butyl N-[4-[(1-benzyl-5-carbamoyl-imidazol-4-yl)amino]-4-oxo-butyl]carbamate CAS Name: N-[4-[[5-carbamoyl-1-(phenylmethyl)-4-imidazolyl]amino]-4-oxobutyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(1-benzyl-5-carbamoylimidazol-4-yl)amino]-4-oxobutyl]carbamate Traditional Name: N-[4-[(1-benzyl-5-carbamoyl-imidazol-4-yl)amino]-4-keto-butyl]carbamic acid tert-butyl ester Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O4/c1-20(2,3)29-19(28)22-11-7-10-15(26)24-18-16(17(21)27)25(13-23-18)12-14-8-5-4-6-9-14/h4-6,8-9,13H,7,10-12H2,1-3H3,(H2,21,27)(H,22,28)(H,24,26)