3-[2-[[2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoyl]amino]propanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[2-[[2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoyl]amino]propanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[2-[[2-[(4-methoxybenzoyl)amino]-3-methyl-butanoyl]amino]propanoylamino]-4-oxo-butanoic acid CAS Name: 3-[[2-[[2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[2-[[2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]propanoylamino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[2-[[3-methyl-2-(p-anisoylamino)butanoyl]amino]propanoylamino]butyric acid Formula: C20H27N3O7 MolecularWeight: 421.44428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C=O)NC(=O)C1=CC=C(C=C1)OC

Isomeric SMILES

CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C=O)NC(=O)C1=CC=C(C=C1)OC

InChI

InChI=1S/C20H27N3O7/c1-11(2)17(23-19(28)13-5-7-15(30-4)8-6-13)20(29)21-12(3)18(27)22-14(10-24)9-16(25)26/h5-8,10-12,14,17H,9H2,1-4H3,(H,21,29)(H,22,27)(H,23,28)(H,25,26)