AC1NDFGQ

2-[(16-ethoxycarbonyl-14-thiabicyclo[11.3.0]hexadeca-1(13),15-dien-15-yl)carbamoyl]cyclohexane-1-carboxylic acid

Also Known As: AK-968/41924462|2-({[3-(ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid|2-[(16-ethoxycarbonyl-14-thiabicyclo[11.3.0]hexadeca-1(13),15-dien-15-yl)carbamoyl]cyclohexane-1-carboxylic acid|2-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)carbamoyl)cyclohexane-1-carboxylic acid|2-((3-(ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid|2-{[3-(ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid|2-{N-[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13,14-undecahydrocyclotrideca[1, 2-d]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid

Molecular Formula	C26H39NO5S
Molecular Weight	477.25488 g/mol
LogP	6.3638
Topological Polar Surface Area	92.7 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	477.25488
Monoisotopic Mass	477.25488
Heavy Atoms	33
Complexity	817.8494

Chemical Identifiers

CAS Number	438233-00-2
SMILES	CCOC(=O)C1=C(SC2=C1CCCCCCCCCCC2)NC(=O)C3CCCCC3C(=O)O