3-(4-Biotinoyl-6-aminocaproyloxy)phenylpropionic acid N-hydroxysuccinimide ester

[4-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phenyl] 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoate

Also Known As: BAPPS|3- phenylpropionicacidN-hydroxysuccinimideester|[4-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phenyl] 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoate|3-(4-Biotinoyl-6-aminocaproyloxy)phenylpropionic acid N-hydroxysuccinimide ester|4-(3-((2,5-Dioxopyrrolidin-1-yl)oxy)-3-oxopropyl)phenyl 6-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexanoate|4-{3-[(2,5-dioxopyrrolidin-1-yl)oxy]-3-oxopropyl}phenyl 6-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoate|Hexanoic acid, 6-((5-(hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-1-oxopentyl)amino)-, 4-(3-((2,5-dioxo-1-pyrrolidinyl)oxy)-3-oxopropyl)phenyl ester, (3aS-(3aalpha,4beta,6aalpha))-|N-[6-(4-{3-[(2,5-Dioxopyrrolidin-1-yl)oxy]-3-oxopropyl}phenoxy)-6-oxohexyl]-5-(2-hydroxy-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl)pentanimidic acid|N-[6-(4-{3-[(2,5-Dioxopyrrolidin-1-yl)oxy]-3-oxopropyl}phenoxy)-6-oxohexyl]-5-[(3aR,6S,6aS)-2-hydroxy-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanimidic acid

Molecular Formula	C29H38N4O8S
Molecular Weight	602.241 g/mol
LogP	1.7
Topological Polar Surface Area	186.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	18
Exact Mass	602.241
Monoisotopic Mass	602.241
Heavy Atoms	42
Complexity	986.0

Chemical Identifiers

CAS Number	89059-46-1
SMILES	C1CC(=O)N(C1=O)OC(=O)CCC2=CC=C(C=C2)OC(=O)CCCCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4
InChIKey	APEMUHZPMLSNQK-VPYPWEPUSA-N