(2S)-2-(2,2-dimethylpropoxycarbonylamino)-3-[[2-oxidanyl-4-[2-(pyrimidin-2-ylamino)ethoxy]phenyl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-(2,2-dimethylpropoxycarbonylamino)-3-[[2-oxidanyl-4-[2-(pyrimidin-2-ylamino)ethoxy]phenyl]carbonylamino]propanoic acid Openeye Name: (2S)-2-(2,2-dimethylpropoxycarbonylamino)-3-[[2-hydroxy-4-[2-(pyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid CAS Name: (2S)-2-[[2,2-dimethylpropoxy(oxo)methyl]amino]-3-[[[2-hydroxy-4-[2-(2-pyrimidinylamino)ethoxy]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-(2,2-dimethylpropoxycarbonylamino)-3-[[2-hydroxy-4-[2-(pyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid Traditional Name: (2S)-3-[[2-hydroxy-4-[2-(2-pyrimidylamino)ethoxy]benzoyl]amino]-2-(neopentyloxycarbonylamino)propionic acid Formula: C22H29N5O7 MolecularWeight: 475.49496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)NC(CNC(=O)C1=C(C=C(C=C1)OCCNC2=NC=CC=N2)O)C(=O)O

Isomeric SMILES

CC(C)(C)COC(=O)N[C@@H](CNC(=O)C1=C(C=C(C=C1)OCCNC2=NC=CC=N2)O)C(=O)O

InChI

InChI=1S/C22H29N5O7/c1-22(2,3)13-34-21(32)27-16(19(30)31)12-26-18(29)15-6-5-14(11-17(15)28)33-10-9-25-20-23-7-4-8-24-20/h4-8,11,16,28H,9-10,12-13H2,1-3H3,(H,26,29)(H,27,32)(H,30,31)(H,23,24,25)/t16-/m0/s1