CBMicro_046662

5-[[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoic acid

Also Known As: CBMicro_046662|Oprea1_273464|BIM-0046637.P001|AK-968/37202050|5-[[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoic acid|5-{[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-5-oxopentanoic acid|4-{[3-CARBAMOYL-6-(2-METHYLBUTAN-2-YL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]CARBAMOYL}BUTANOIC ACID|4-{N-[6-(1,1-dimethylpropyl)-3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2- yl]carbamoyl}butanoic acid|5-{[3-(aminocarbonyl)-6-(tert-pentyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-5-oxopentanoic acid|5-{[3-(aminocarbonyl)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-5-oxopentanoic acid

Molecular Formula	C19H28N2O4S
Molecular Weight	380.17697 g/mol
LogP	3.5815
Topological Polar Surface Area	109.49 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	380.17697
Monoisotopic Mass	380.17697
Heavy Atoms	26
Complexity	708.63745

Chemical Identifiers

CAS Number	354546-03-5
SMILES	CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCC(=O)O