(2S)-1-[2-methyl-6-(2-methylpropanoylamino)-3-(phenylmethyl)benzimidazol-4-yl]carbonylpyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[2-methyl-6-(2-methylpropanoylamino)-3-(phenylmethyl)benzimidazol-4-yl]carbonylpyrrolidine-2-carboxamide Openeye Name: (2S)-1-[3-benzyl-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carbonyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[[2-methyl-6-[(2-methyl-1-oxopropyl)amino]-3-(phenylmethyl)-4-benzimidazolyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[3-benzyl-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carbonyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[3-benzyl-6-(isobutyrylamino)-2-methyl-benzimidazole-4-carbonyl]pyrrolidine-2-carboxamide Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)C(=CC(=C2)NC(=O)C(C)C)C(=O)N4CCCC4C(=O)N

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)C(=CC(=C2)NC(=O)C(C)C)C(=O)N4CCC[C@H]4C(=O)N

InChI

InChI=1S/C25H29N5O3/c1-15(2)24(32)28-18-12-19(25(33)29-11-7-10-21(29)23(26)31)22-20(13-18)27-16(3)30(22)14-17-8-5-4-6-9-17/h4-6,8-9,12-13,15,21H,7,10-11,14H2,1-3H3,(H2,26,31)(H,28,32)/t21-/m0/s1