tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-(1-phenyl-1,2,3-triazol-4-yl)butanoate

Systemtic Name: tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-(1-phenyl-1,2,3-triazol-4-yl)butanoate Openeye Name: tert-butyl (2S)-2-(tert-butoxycarbonylamino)-4-oxo-4-(1-phenyltriazol-4-yl)butanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-4-(1-phenyl-4-triazolyl)butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(1-phenyltriazol-4-yl)butanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-4-keto-4-(1-phenyltriazol-4-yl)butyric acid tert-butyl ester Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC(=O)C1=CN(N=N1)C2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC(=O)C1=CN(N=N1)C2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H28N4O5/c1-20(2,3)29-18(27)15(22-19(28)30-21(4,5)6)12-17(26)16-13-25(24-23-16)14-10-8-7-9-11-14/h7-11,13,15H,12H2,1-6H3,(H,22,28)/t15-/m0/s1