methyl 2-[[(2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[[(2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[[(2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidine-2-carbonyl]amino]propanoate CAS Name: 3-hydroxy-2-[[[(2S)-1-[4-(3-methylphenoxy)-2-pyrimidinyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[[(2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidine-2-carbonyl]amino]propanoate Traditional Name: 3-hydroxy-2-[[(2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]prolyl]amino]propionic acid methyl ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCCC3C(=O)NC(CO)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCC[C@H]3C(=O)NC(CO)C(=O)OC

InChI

InChI=1S/C20H24N4O5/c1-13-5-3-6-14(11-13)29-17-8-9-21-20(23-17)24-10-4-7-16(24)18(26)22-15(12-25)19(27)28-2/h3,5-6,8-9,11,15-16,25H,4,7,10,12H2,1-2H3,(H,22,26)/t15?,16-/m0/s1