4-[[6-azanyl-2-(2,2-dimethylpropanoylamino)hexanoyl]amino]-2-(3-hydroxyphenyl)benzoic acid

Systemtic Name: 4-[[6-azanyl-2-(2,2-dimethylpropanoylamino)hexanoyl]amino]-2-(3-hydroxyphenyl)benzoic acid Openeye Name: 4-[[6-amino-2-(2,2-dimethylpropanoylamino)hexanoyl]amino]-2-(3-hydroxyphenyl)benzoic acid CAS Name: 4-[[6-amino-2-[(2,2-dimethyl-1-oxopropyl)amino]-1-oxohexyl]amino]-2-(3-hydroxyphenyl)benzoic acid IUPAC Name: 4-[[6-amino-2-(2,2-dimethylpropanoylamino)hexanoyl]amino]-2-(3-hydroxyphenyl)benzoic acid Traditional Name: 4-[[6-amino-2-(pivaloylamino)hexanoyl]amino]-2-(3-hydroxyphenyl)benzoic acid Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(CCCCN)C(=O)NC1=CC(=C(C=C1)C(=O)O)C2=CC(=CC=C2)O

Isomeric SMILES

CC(C)(C)C(=O)NC(CCCCN)C(=O)NC1=CC(=C(C=C1)C(=O)O)C2=CC(=CC=C2)O

InChI

InChI=1S/C24H31N3O5/c1-24(2,3)23(32)27-20(9-4-5-12-25)21(29)26-16-10-11-18(22(30)31)19(14-16)15-7-6-8-17(28)13-15/h6-8,10-11,13-14,20,28H,4-5,9,12,25H2,1-3H3,(H,26,29)(H,27,32)(H,30,31)