tert-butyl N-[[1-[2-(1H-imidazol-5-yl)ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-phenethyl-amino]carbamate

Systemtic Name: tert-butyl N-[[1-[2-(1H-imidazol-5-yl)ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-phenethyl-amino]carbamate Openeye Name: tert-butyl N-[[1-benzyl-2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxo-ethyl]carbamoyl-phenethyl-amino]carbamate CAS Name: N-[[[[1-[2-(1H-imidazol-5-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-phenethylamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[1-[2-(1H-imidazol-5-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl-phenethylamino]carbamate Traditional Name: N-[[1-benzyl-2-[2-(1H-imidazol-5-yl)ethylamino]-2-keto-ethyl]carbamoyl-phenethyl-amino]carbamic acid tert-butyl ester Formula: C28H36N6O4 MolecularWeight: 520.62324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCC3=CN=CN3

Isomeric SMILES

CC(C)(C)OC(=O)NN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCC3=CN=CN3

InChI

InChI=1S/C28H36N6O4/c1-28(2,3)38-27(37)33-34(17-15-21-10-6-4-7-11-21)26(36)32-24(18-22-12-8-5-9-13-22)25(35)30-16-14-23-19-29-20-31-23/h4-13,19-20,24H,14-18H2,1-3H3,(H,29,31)(H,30,35)(H,32,36)(H,33,37)