tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-phenylpyrazol-3-yl)propanoate

Systemtic Name: tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-phenylpyrazol-3-yl)propanoate Openeye Name: tert-butyl (2S)-2-(tert-butoxycarbonylamino)-3-(1-phenylpyrazol-3-yl)propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(1-phenyl-3-pyrazolyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-phenylpyrazol-3-yl)propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(1-phenylpyrazol-3-yl)propionic acid tert-butyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=NN(C=C1)C2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=NN(C=C1)C2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H29N3O4/c1-20(2,3)27-18(25)17(22-19(26)28-21(4,5)6)14-15-12-13-24(23-15)16-10-8-7-9-11-16/h7-13,17H,14H2,1-6H3,(H,22,26)/t17-/m0/s1