N'-(2-azanyl-1-cyclopentyl-2-oxidanylidene-1-pyridin-4-yl-ethyl)-N-(5-methyl-1,2-oxazol-3-yl)-N'-(thiophen-2-ylmethyl)butanediamide

Systemtic Name: N'-(2-azanyl-1-cyclopentyl-2-oxidanylidene-1-pyridin-4-yl-ethyl)-N-(5-methyl-1,2-oxazol-3-yl)-N'-(thiophen-2-ylmethyl)butanediamide Openeye Name: N'-[2-amino-1-cyclopentyl-2-oxo-1-(4-pyridyl)ethyl]-N-(5-methylisoxazol-3-yl)-N'-(2-thienylmethyl)butanediamide CAS Name: N'-(2-amino-1-cyclopentyl-2-oxo-1-pyridin-4-ylethyl)-N-(5-methyl-3-isoxazolyl)-N'-(thiophen-2-ylmethyl)butanediamide IUPAC Name: N'-(2-amino-1-cyclopentyl-2-oxo-1-pyridin-4-ylethyl)-N-(5-methyl-1,2-oxazol-3-yl)-N'-(thiophen-2-ylmethyl)butanediamide Traditional Name: N'-[2-amino-1-cyclopentyl-2-keto-1-(4-pyridyl)ethyl]-N-(5-methylisoxazol-3-yl)-N'-(2-thenyl)succinamide Formula: C25H29N5O4S MolecularWeight: 495.59386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CCC(=O)N(CC2=CC=CS2)C(C3CCCC3)(C4=CC=NC=C4)C(=O)N

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CCC(=O)N(CC2=CC=CS2)C(C3CCCC3)(C4=CC=NC=C4)C(=O)N

InChI

InChI=1S/C25H29N5O4S/c1-17-15-21(29-34-17)28-22(31)8-9-23(32)30(16-20-7-4-14-35-20)25(24(26)33,18-5-2-3-6-18)19-10-12-27-13-11-19/h4,7,10-15,18H,2-3,5-6,8-9,16H2,1H3,(H2,26,33)(H,28,29,31)