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130597-31-8 | Cyclohexanepentanoic acid, γ-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-β-hydroxy-, [S-(R*,R*)]- (9CI)
CAS No: 130597-31-8 Catalog No: AG000UOC MDL No:MFCD00155626
Product Description
Catalog Number:
AG000UOC
Chemical Name:
Cyclohexanepentanoic acid, γ-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-β-hydroxy-, [S-(R*,R*)]- (9CI)
CAS Number:
130597-31-8
Molecular Formula:
C26H31NO5
Molecular Weight:
437.5280
MDL Number:
MFCD00155626
IUPAC Name:
(3S,4S)-5-cyclohexyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid
InChI:
InChI=1S/C26H31NO5/c28-24(15-25(29)30)23(14-17-8-2-1-3-9-17)27-26(31)32-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h4-7,10-13,17,22-24,28H,1-3,8-9,14-16H2,(H,27,31)(H,29,30)/t23-,24-/m0/s1
InChI Key:
NTQQMWZNOTYXHU-ZEQRLZLVSA-N
SMILES:
OC(=O)C[C@@H]([C@@H](NC(=O)OCC1c2ccccc2c2c1cccc2)CC1CCCCC1)O
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
437.22g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
437.536g/mol
Monoisotopic Mass:
437.22g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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