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1152107-25-9 | Cyclopentanepropanoic acid, α-[(formylhydroxyamino)methyl]-, 2-[5-fluoro-6-[(9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-2-methyl-4-pyrimidinyl]hydrazide, (αR)-
CAS No: 1152107-25-9 Catalog No: AG000GG8 MDL No:
Product Description
Catalog Number:
AG000GG8
Chemical Name:
Cyclopentanepropanoic acid, α-[(formylhydroxyamino)methyl]-, 2-[5-fluoro-6-[(9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-2-methyl-4-pyrimidinyl]hydrazide, (αR)-
CAS Number:
1152107-25-9
Molecular Formula:
C22H34FN7O4
Molecular Weight:
479.5483
IUPAC Name:
N-[(2R)-3-[2-[6-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
InChI:
InChI=1S/C22H34FN7O4/c1-15-24-20(19(23)21(25-15)29-7-6-28-8-9-34-13-18(28)12-29)26-27-22(32)17(11-30(33)14-31)10-16-4-2-3-5-16/h14,16-18,33H,2-13H2,1H3,(H,27,32)(H,24,25,26)/t17-,18+/m1/s1
InChI Key:
SWHNZGMQMGFQGW-MSOLQXFVSA-N
SMILES:
O=CN(C[C@H](C(=O)NNc1nc(C)nc(c1F)N1CCN2[C@@H](C1)COCC2)CC1CCCC1)O
UNII:
12M6KFD07E
Properties
Complexity:
686
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
479.266g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
479.557g/mol
Monoisotopic Mass:
479.266g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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