(2S,4S)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[(4-phenylmethoxyphenyl)methyl]-N-propan-2-yl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,4S)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[(4-phenylmethoxyphenyl)methyl]-N-propan-2-yl-pyrrolidine-2-carboxamide Openeye Name: (2S,4S)-1-[(4-benzyloxyphenyl)methyl]-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-isopropyl-pyrrolidine-2-carboxamide CAS Name: (2S,4S)-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-[(4-phenylmethoxyphenyl)methyl]-N-propan-2-yl-2-pyrrolidinecarboxamide IUPAC Name: (2S,4S)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[(4-phenylmethoxyphenyl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide Traditional Name: (2S,4S)-1-(4-benzoxybenzyl)-4-[(4,6-dimethylpyrimidin-2-yl)thio]-N-isopropyl-pyrrolidine-2-carboxamide Formula: C28H34N4O2S MolecularWeight: 490.66016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2CC(N(C2)CC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)NC(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)S[C@H]2C[C@H](N(C2)CC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)NC(C)C)C

InChI

InChI=1S/C28H34N4O2S/c1-19(2)29-27(33)26-15-25(35-28-30-20(3)14-21(4)31-28)17-32(26)16-22-10-12-24(13-11-22)34-18-23-8-6-5-7-9-23/h5-14,19,25-26H,15-18H2,1-4H3,(H,29,33)/t25-,26-/m0/s1