(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-oxidanylidene-4-(phenylmethoxycarbonylamino)pyrimidin-1-yl]butanoic acid

Systemtic Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-oxidanylidene-4-(phenylmethoxycarbonylamino)pyrimidin-1-yl]butanoic acid Openeye Name: (2S)-4-[4-(benzyloxycarbonylamino)-2-oxo-pyrimidin-1-yl]-2-(tert-butoxycarbonylamino)butanoic acid CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-[2-oxo-4-(phenylmethoxycarbonylamino)-1-pyrimidinyl]butanoic acid IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-oxo-4-(phenylmethoxycarbonylamino)pyrimidin-1-yl]butanoic acid Traditional Name: (2S)-4-[4-(benzyloxycarbonylamino)-2-keto-pyrimidin-1-yl]-2-(tert-butoxycarbonylamino)butyric acid Formula: C21H26N4O7 MolecularWeight: 446.45374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCN1C=CC(=NC1=O)NC(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCN1C=CC(=NC1=O)NC(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H26N4O7/c1-21(2,3)32-20(30)22-15(17(26)27)9-11-25-12-10-16(23-18(25)28)24-19(29)31-13-14-7-5-4-6-8-14/h4-8,10,12,15H,9,11,13H2,1-3H3,(H,22,30)(H,26,27)(H,23,24,28,29)/t15-/m0/s1