3-[[1-[3-methyl-2-[(4-methylphenyl)carbonylamino]butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[1-[3-methyl-2-[(4-methylphenyl)carbonylamino]butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[1-[3-methyl-2-(p-toluoylamino)butanoyl]prolyl]amino]butyric acid Formula: C22H29N3O6 MolecularWeight: 431.48216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)NC(CC(=O)O)C=O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C22H29N3O6/c1-13(2)19(24-20(29)15-8-6-14(3)7-9-15)22(31)25-10-4-5-17(25)21(30)23-16(12-26)11-18(27)28/h6-9,12-13,16-17,19H,4-5,10-11H2,1-3H3,(H,23,30)(H,24,29)(H,27,28)