3-[2-[2-[(3,5-dimethyl-4-oxidanyl-phenyl)carbonylamino]propanoylamino]propanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[2-[2-[(3,5-dimethyl-4-oxidanyl-phenyl)carbonylamino]propanoylamino]propanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[2-[2-[(4-hydroxy-3,5-dimethyl-benzoyl)amino]propanoylamino]propanoylamino]-4-oxo-butanoic acid CAS Name: 3-[[2-[[2-[[(4-hydroxy-3,5-dimethylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[2-[2-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propanoylamino]propanoylamino]-4-oxobutanoic acid Traditional Name: 3-[2-[2-[(4-hydroxy-3,5-dimethyl-benzoyl)amino]propanoylamino]propanoylamino]-4-keto-butyric acid Formula: C19H25N3O7 MolecularWeight: 407.4177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(=O)O)C=O

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C19H25N3O7/c1-9-5-13(6-10(2)16(9)26)19(29)21-11(3)17(27)20-12(4)18(28)22-14(8-23)7-15(24)25/h5-6,8,11-12,14,26H,7H2,1-4H3,(H,20,27)(H,21,29)(H,22,28)(H,24,25)