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VTP-27999 Hydrochloride

CAS No.:
1264191-73-2
Catalog Number:
AG009CFL
Molecular Formula:
C26H42Cl2N4O5
Molecular Weight:
561.5415
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Product Description
Catalog Number:
AG009CFL
Chemical Name:
VTP-27999 Hydrochloride
CAS Number:
1264191-73-2
Molecular Formula:
C26H42Cl2N4O5
Molecular Weight:
561.5415
MDL Number:
MFCD22741503
IUPAC Name:
methyl N-[2-[(R)-(3-chlorophenyl)-[(3R)-1-[[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]carbamoyl]piperidin-3-yl]methoxy]ethyl]carbamate;hydrochloride
InChI:
InChI=1S/C26H41ClN4O5.ClH/c1-28-23(14-19-6-5-12-35-18-19)16-30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2;/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32);1H/t19-,21-,23+,24+;/m1./s1
InChI Key:
XDXSPYSCCJMHRQ-VIEYARBJSA-N
SMILES:
CN[C@@H](C[C@H]1CCCOC1)CNC(=O)N1CCC[C@H](C1)[C@H](c1cccc(c1)Cl)OCCNC(=O)OC.Cl
Properties
Complexity:
672  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
560.253g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
561.545g/mol
Monoisotopic Mass:
560.253g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties