3-[[6-[(3,4-dimethylphenyl)carbonylamino]-2-pyridin-3-yl-hexanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[6-[(3,4-dimethylphenyl)carbonylamino]-2-pyridin-3-yl-hexanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[6-[(3,4-dimethylbenzoyl)amino]-2-(3-pyridyl)hexanoyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[6-[[(3,4-dimethylphenyl)-oxomethyl]amino]-1-oxo-2-(3-pyridinyl)hexyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[6-[(3,4-dimethylbenzoyl)amino]-2-pyridin-3-ylhexanoyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[6-[(3,4-dimethylbenzoyl)amino]-2-(3-pyridyl)hexanoyl]amino]-4-keto-butyric acid Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCCCC(C2=CN=CC=C2)C(=O)NC(CC(=O)O)C=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCCCC(C2=CN=CC=C2)C(=O)NC(CC(=O)O)C=O)C

InChI

InChI=1S/C24H29N3O5/c1-16-8-9-18(12-17(16)2)23(31)26-11-4-3-7-21(19-6-5-10-25-14-19)24(32)27-20(15-28)13-22(29)30/h5-6,8-10,12,14-15,20-21H,3-4,7,11,13H2,1-2H3,(H,26,31)(H,27,32)(H,29,30)