2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-5-(pentanoylamino)pyridine-3-carboxylic acid

Systemtic Name: 2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-5-(pentanoylamino)pyridine-3-carboxylic acid Openeye Name: 2-[4-[2-(tert-butylamino)-2-oxo-ethyl]piperazin-1-yl]-5-(pentanoylamino)pyridine-3-carboxylic acid CAS Name: 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1-piperazinyl]-5-(1-oxopentylamino)-3-pyridinecarboxylic acid IUPAC Name: 2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-5-(pentanoylamino)pyridine-3-carboxylic acid Traditional Name: 2-[4-[2-(tert-butylamino)-2-keto-ethyl]piperazino]-5-(valerylamino)nicotinic acid Formula: C21H33N5O4 MolecularWeight: 419.51782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CN=C(C(=C1)C(=O)O)N2CCN(CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CCCCC(=O)NC1=CN=C(C(=C1)C(=O)O)N2CCN(CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C21H33N5O4/c1-5-6-7-17(27)23-15-12-16(20(29)30)19(22-13-15)26-10-8-25(9-11-26)14-18(28)24-21(2,3)4/h12-13H,5-11,14H2,1-4H3,(H,23,27)(H,24,28)(H,29,30)