(2S)-4-(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)-2-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: (2S)-4-(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)-2-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-4-(4,6-dimethyl-2-oxo-pyrimidin-1-yl)butanoic acid CAS Name: (2S)-4-(4,6-dimethyl-2-oxo-1-pyrimidinyl)-2-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: (2S)-4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-4-(2-keto-4,6-dimethyl-pyrimidin-1-yl)butyric acid Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=O)N1CCC(C(=O)O)NC(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NC(=O)N1CC[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C18H21N3O5/c1-12-10-13(2)21(17(24)19-12)9-8-15(16(22)23)20-18(25)26-11-14-6-4-3-5-7-14/h3-7,10,15H,8-9,11H2,1-2H3,(H,20,25)(H,22,23)/t15-/m0/s1