(2S)-1-[(2S)-2-benzamido-4-methyl-pentanoyl]-N-[4-(pyrimidin-2-ylamino)butyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-2-benzamido-4-methyl-pentanoyl]-N-[4-(pyrimidin-2-ylamino)butyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S)-2-benzamido-4-methyl-pentanoyl]-N-[4-(pyrimidin-2-ylamino)butyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2S)-2-benzamido-4-methyl-1-oxopentyl]-N-[4-(2-pyrimidinylamino)butyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-2-benzamido-4-methylpentanoyl]-N-[4-(pyrimidin-2-ylamino)butyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S)-2-benzamido-4-methyl-pentanoyl]-N-[4-(2-pyrimidylamino)butyl]pyrrolidine-2-carboxamide Formula: C26H36N6O3 MolecularWeight: 480.60244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)NCCCCNC2=NC=CC=N2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)NCCCCNC2=NC=CC=N2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H36N6O3/c1-19(2)18-21(31-23(33)20-10-4-3-5-11-20)25(35)32-17-8-12-22(32)24(34)27-13-6-7-14-28-26-29-15-9-16-30-26/h3-5,9-11,15-16,19,21-22H,6-8,12-14,17-18H2,1-2H3,(H,27,34)(H,31,33)(H,28,29,30)/t21-,22-/m0/s1