tert-butyl 4-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: tert-butyl 4-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate Openeye Name: tert-butyl 4-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-3-(tert-butoxycarbonylamino)-4-oxo-butanoate CAS Name: 4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate Traditional Name: 4-[(2-amino-1-benzyl-2-keto-ethyl)amino]-3-(tert-butoxycarbonylamino)-4-keto-butyric acid tert-butyl ester Formula: C22H33N3O6 MolecularWeight: 435.51392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H33N3O6/c1-21(2,3)30-17(26)13-16(25-20(29)31-22(4,5)6)19(28)24-15(18(23)27)12-14-10-8-7-9-11-14/h7-11,15-16H,12-13H2,1-6H3,(H2,23,27)(H,24,28)(H,25,29)