4-[4-[(2,6-dimethylphenyl)-propanoyl-amino]butanoyl-(phenylmethyl)amino]butanoic acid

Systemtic Name: 4-[4-[(2,6-dimethylphenyl)-propanoyl-amino]butanoyl-(phenylmethyl)amino]butanoic acid Openeye Name: 4-[benzyl-[4-(2,6-dimethyl-N-propanoyl-anilino)butanoyl]amino]butanoic acid CAS Name: 4-[[4-[2,6-dimethyl-N-(1-oxopropyl)anilino]-1-oxobutyl]-(phenylmethyl)amino]butanoic acid IUPAC Name: 4-[benzyl-[4-(2,6-dimethyl-N-propanoylanilino)butanoyl]amino]butanoic acid Traditional Name: 4-[benzyl-[4-(2,6-dimethyl-N-propionyl-anilino)butanoyl]amino]butyric acid Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CCCC(=O)N(CCCC(=O)O)CC1=CC=CC=C1)C2=C(C=CC=C2C)C

Isomeric SMILES

CCC(=O)N(CCCC(=O)N(CCCC(=O)O)CC1=CC=CC=C1)C2=C(C=CC=C2C)C

InChI

InChI=1S/C26H34N2O4/c1-4-23(29)28(26-20(2)11-8-12-21(26)3)18-9-15-24(30)27(17-10-16-25(31)32)19-22-13-6-5-7-14-22/h5-8,11-14H,4,9-10,15-19H2,1-3H3,(H,31,32)