cyanomethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenyldiazenylphenyl)propanoate

Systemtic Name: cyanomethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenyldiazenylphenyl)propanoate Openeye Name: cyanomethyl (2S)-2-(tert-butoxycarbonylamino)-3-(4-phenylazophenyl)propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-phenyldiazenylphenyl)propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenyldiazenylphenyl)propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(4-phenylazophenyl)propionic acid cyanomethyl ester Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)N=NC2=CC=CC=C2)C(=O)OCC#N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)N=NC2=CC=CC=C2)C(=O)OCC#N

InChI

InChI=1S/C22H24N4O4/c1-22(2,3)30-21(28)24-19(20(27)29-14-13-23)15-16-9-11-18(12-10-16)26-25-17-7-5-4-6-8-17/h4-12,19H,14-15H2,1-3H3,(H,24,28)/t19-/m0/s1