methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonyl-amino]-3-pyrazol-1-yl-propanoate

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonyl-amino]-3-pyrazol-1-yl-propanoate Openeye Name: methyl (2S)-2-[benzyloxycarbonyl(tert-butoxycarbonyl)amino]-3-pyrazol-1-yl-propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-phenylmethoxycarbonylamino]-3-(1-pyrazolyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonylamino]-3-pyrazol-1-ylpropanoate Traditional Name: (2S)-2-[tert-butoxycarbonyl(carbobenzoxy)amino]-3-pyrazol-1-yl-propionic acid methyl ester Formula: C20H25N3O6 MolecularWeight: 403.429

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C(CN1C=CC=N1)C(=O)OC)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N([C@@H](CN1C=CC=N1)C(=O)OC)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H25N3O6/c1-20(2,3)29-19(26)23(18(25)28-14-15-9-6-5-7-10-15)16(17(24)27-4)13-22-12-8-11-21-22/h5-12,16H,13-14H2,1-4H3/t16-/m0/s1