AC1N32R1

6-[(16-ethoxycarbonyl-14-thiabicyclo[11.3.0]hexadeca-1(13),15-dien-15-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Also Known As: AK-968/41923727|6-({[3-(ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thien-2-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid|6-[(16-ethoxycarbonyl-14-thiabicyclo[11.3.0]hexadeca-1(13),15-dien-15-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid|6-{[3-(ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid|6-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)carbamoyl)cyclohex-3-ene-1-carboxylic acid|6-((3-(ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid|6-{N-[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13,14-undecahydrocyclotrideca[1, 2-d]thiophen-2-yl]carbamoyl}cyclohex-3-enecarboxylic acid

Molecular Formula	C26H37NO5S
Molecular Weight	475.23926 g/mol
LogP	6.1398
Topological Polar Surface Area	92.7 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	475.23926
Monoisotopic Mass	475.23926
Heavy Atoms	33
Complexity	859.1089

Chemical Identifiers

CAS Number	438237-23-1
SMILES	CCOC(=O)C1=C(SC2=C1CCCCCCCCCCC2)NC(=O)C3CC=CCC3C(=O)O