2-[[2-[(1-hexanoylpyrrolidin-2-yl)carbonylamino]-3-methyl-butanoyl]amino]-6-methyl-benzoic acid

Systemtic Name: 2-[[2-[(1-hexanoylpyrrolidin-2-yl)carbonylamino]-3-methyl-butanoyl]amino]-6-methyl-benzoic acid Openeye Name: 2-[[2-[(1-hexanoylpyrrolidine-2-carbonyl)amino]-3-methyl-butanoyl]amino]-6-methyl-benzoic acid CAS Name: 2-methyl-6-[[3-methyl-1-oxo-2-[[oxo-[1-(1-oxohexyl)-2-pyrrolidinyl]methyl]amino]butyl]amino]benzoic acid IUPAC Name: 2-[[2-[(1-hexanoylpyrrolidine-2-carbonyl)amino]-3-methylbutanoyl]amino]-6-methylbenzoic acid Traditional Name: 2-[[2-[(1-caproylprolyl)amino]-3-methyl-butanoyl]amino]-6-methyl-benzoic acid Formula: C24H35N3O5 MolecularWeight: 445.5518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)NC2=CC=CC(=C2C(=O)O)C

Isomeric SMILES

CCCCCC(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)NC2=CC=CC(=C2C(=O)O)C

InChI

InChI=1S/C24H35N3O5/c1-5-6-7-13-19(28)27-14-9-12-18(27)22(29)26-21(15(2)3)23(30)25-17-11-8-10-16(4)20(17)24(31)32/h8,10-11,15,18,21H,5-7,9,12-14H2,1-4H3,(H,25,30)(H,26,29)(H,31,32)