Biocytinamidoethyl Methanethiosulfonate, Trifluroacetic Acid Salt

2-amino-N-(2-methoxysulfonothioylethyl)-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanamide

Also Known As: Biocytinamidoethyl Methanethiosulfonate, Trifluroacetic Acid Salt|Biocytinamidoethyl MTS, TFA Salt|2-amino-N-(2-methoxysulfonothioylethyl)-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanamide|Biocytinamidoethyl methanethiosulfonate,trifluroacetic acid salt|Methanesulfonothioic Acid S-[2-[[(2S)-2-Amino-6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]ethyl] Ester, 2,2,2-Trifluoroacetate|O-Methyl 2-({N~6~-[5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl]lysyl}amino)ethane-1-sulfonothioate

Molecular Formula	C19H35N5O5S3
Molecular Weight	509.18002 g/mol
LogP	-0.2501
Topological Polar Surface Area	151.65 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	8
Rotatable Bonds	15
Exact Mass	509.18002
Monoisotopic Mass	509.18002
Heavy Atoms	32
Complexity	751.63556

Chemical Identifiers

CAS Number	353754-92-4
SMILES	COS(=O)(=S)CCNC(=O)C(CCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)N