(2S)-2-[[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]amino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]amino]-3-methyl-butanoate Openeye Name: (2S)-2-[(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[(5-benzyl-2,6-dimethylpyrimidin-4-yl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)amino]-3-methyl-butyrate Formula: C18H22N3O2- MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)NC(C(C)C)C(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N[C@@H](C(C)C)C(=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C18H23N3O2/c1-11(2)16(18(22)23)21-17-15(12(3)19-13(4)20-17)10-14-8-6-5-7-9-14/h5-9,11,16H,10H2,1-4H3,(H,22,23)(H,19,20,21)/p-1/t16-/m0/s1