(2S)-2-[[2-(diethylamino)-5-pentan-3-yl-pyrimidin-4-yl]amino]-3-[4-(4-methoxy-1-methyl-6-oxidanylidene-pyrimidin-5-yl)phenyl]propanoic acid

Systemtic Name: (2S)-2-[[2-(diethylamino)-5-pentan-3-yl-pyrimidin-4-yl]amino]-3-[4-(4-methoxy-1-methyl-6-oxidanylidene-pyrimidin-5-yl)phenyl]propanoic acid Openeye Name: (2S)-2-[[2-(diethylamino)-5-(1-ethylpropyl)pyrimidin-4-yl]amino]-3-[4-(4-methoxy-1-methyl-6-oxo-pyrimidin-5-yl)phenyl]propanoic acid CAS Name: (2S)-2-[[2-(diethylamino)-5-pentan-3-yl-4-pyrimidinyl]amino]-3-[4-(4-methoxy-1-methyl-6-oxo-5-pyrimidinyl)phenyl]propanoic acid IUPAC Name: (2S)-2-[[2-(diethylamino)-5-pentan-3-ylpyrimidin-4-yl]amino]-3-[4-(4-methoxy-1-methyl-6-oxopyrimidin-5-yl)phenyl]propanoic acid Traditional Name: (2S)-2-[[2-(diethylamino)-5-(1-ethylpropyl)pyrimidin-4-yl]amino]-3-[4-(6-keto-4-methoxy-1-methyl-pyrimidin-5-yl)phenyl]propionic acid Formula: C28H38N6O4 MolecularWeight: 522.63912

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CN=C(N=C1NC(CC2=CC=C(C=C2)C3=C(N=CN(C3=O)C)OC)C(=O)O)N(CC)CC

Isomeric SMILES

CCC(CC)C1=CN=C(N=C1N[C@@H](CC2=CC=C(C=C2)C3=C(N=CN(C3=O)C)OC)C(=O)O)N(CC)CC

InChI

InChI=1S/C28H38N6O4/c1-7-19(8-2)21-16-29-28(34(9-3)10-4)32-24(21)31-22(27(36)37)15-18-11-13-20(14-12-18)23-25(38-6)30-17-33(5)26(23)35/h11-14,16-17,19,22H,7-10,15H2,1-6H3,(H,36,37)(H,29,31,32)/t22-/m0/s1