9015-94-5
C67H65BrN7O14PS4
Molecular FormulaC67H65BrN7O14PS4
Molecular Weight1431.4 g/mol
Exact Mass1429.23933
SMILESCCOP(=O)(C)CC1=NC2=CC(=C(C=C2S1)OC)O.CC1=CC2=C(C=C1OC)SC(=N2)CBr.COC1=C(C=C2C(=C1)SC(=N2)C=CC=CC3=CC=C(C=C3)N)O.COC1=C(C=C2C(=C1)SC(=N2)C=CC=CC3=CC=C(C=C3)[N+](=O)[O-])O.C1=CC(=CC=C1C=CCO)[N+](=O)[O-]
InChIKeyXTJWLTYYOVZBPT-UHFFFAOYSA-N
XLogPundefined
TPSA426 Ų
Complexity1700
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds17
Charge0
PubChem CID168266266
Also Known As
9015-94-5ReninAngiotensinogenaseethyl ((2,6-difluorophenyl)methyl)(4-((dimethylamino)methyl)-3-((6-methoxypyridazin-3-yl)carbamoyl)-5-(4-nitrophenyl)thiophen-2-yl)carbamateethyl [(2,6-difluorophenyl)methyl]{4-[(dimethylamino)methyl]-3-[(6-methoxypyridazin-3-yl)carbamoyl]-5-(4-nitrophenyl)thiophen-2-yl}carbamateHUMAN RENINRefChem:879242Angiotensin Forming EnzymeAngiotensin-Forming EnzymeRENIN [MI]2MS130CE0ADTXSID301046058E.C. 3.4.4.15E.C. 3.4.23.15E.C. 3.4.99.19854-564-51589503-94-52-[(1E,3E)-4-(4-aminophenyl)buta-1,3-dienyl]-6-methoxy-1,3-benzothiazol-5-ol;2-(bromomethyl)-6-methoxy-5-methyl-1,3-benzothiazole;2-[[ethoxy(methyl)phosphoryl]methyl]-6-methoxy-1,3-benzothiazol-5-ol;6-methoxy-2-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]-1,3-benzothiazol-5-ol;(E)-3-(4-nitrophenyl)prop-2-en-1-ol