Oprea1_857629

5-[(3-ethoxycarbonyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl)amino]-5-oxopentanoic acid

Also Known As: Oprea1_857629|3-Ethyl 2-[(4-carboxy-1-oxobutyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate|5-{[3-(ethoxycarbonyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl]amino}-5-oxopentanoic acid|5-[(3-ethoxycarbonyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl)amino]-5-oxopentanoic acid|4-[(12-ethoxycarbonyl-10-thiabicyclo[7.3.0]dodeca-11,13-dien-11-yl)carbamoyl]butanoic Acid|4-{[3-(ETHOXYCARBONYL)-4H,5H,6H,7H,8H,9H,10H-CYCLONONA[B]THIOPHEN-2-YL]CARBAMOYL}BUTANOIC ACID|4-{N-[3-(ethoxycarbonyl)-4,5,6,7,8,9,10-heptahydrocyclonona[1,2-d]thiophen-2-y l]carbamoyl}butanoic acid|5-{[3-(ethoxycarbonyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thien-2-yl]amino}-5-oxopentanoic acid

Molecular Formula	C19H27NO5S
Molecular Weight	381.16098 g/mol
LogP	4.1673
Topological Polar Surface Area	92.7 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	381.16098
Monoisotopic Mass	381.16098
Heavy Atoms	26
Complexity	652.59985

Chemical Identifiers

CAS Number	438230-67-2
SMILES	CCOC(=O)C1=C(SC2=C1CCCCCCC2)NC(=O)CCCC(=O)O