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1191429-14-7 | Octanoic acid, 8-azido-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-, (2R)-
CAS No: 1191429-14-7 Catalog No: AG000P5R MDL No:
Product Description
Catalog Number:
AG000P5R
Chemical Name:
Octanoic acid, 8-azido-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-, (2R)-
CAS Number:
1191429-14-7
Molecular Formula:
C24H28N4O4
Molecular Weight:
436.5035
IUPAC Name:
(2R)-8-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyloctanoic acid
InChI:
InChI=1S/C24H28N4O4/c1-24(22(29)30,14-8-2-3-9-15-26-28-25)27-23(31)32-16-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,21H,2-3,8-9,14-16H2,1H3,(H,27,31)(H,29,30)/t24-/m1/s1
InChI Key:
MSKNYBLJPSFPBR-XMMPIXPASA-N
SMILES:
[N-]=[N+]=NCCCCCC[C@](C(=O)O)(NC(=O)OCC1c2ccccc2c2c1cccc2)C
Properties
Complexity:
674
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
436.211g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
436.512g/mol
Monoisotopic Mass:
436.211g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
90A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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