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1191429-12-5 | Heptanoic acid, 7-azido-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-, (2R)-
CAS No: 1191429-12-5 Catalog No: AG000P5S MDL No:
Product Description
Catalog Number:
AG000P5S
Chemical Name:
Heptanoic acid, 7-azido-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-, (2R)-
CAS Number:
1191429-12-5
Molecular Formula:
C23H26N4O4
Molecular Weight:
422.4769
IUPAC Name:
(2R)-7-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylheptanoic acid
InChI:
InChI=1S/C23H26N4O4/c1-23(21(28)29,13-7-2-8-14-25-27-24)26-22(30)31-15-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h3-6,9-12,20H,2,7-8,13-15H2,1H3,(H,26,30)(H,28,29)/t23-/m1/s1
InChI Key:
KXSOLTXAQPSGPN-HSZRJFAPSA-N
SMILES:
[N-]=[N+]=NCCCCC[C@](C(=O)O)(NC(=O)OCC1c2ccccc2c2c1cccc2)C
Properties
Complexity:
659
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
422.195g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
422.485g/mol
Monoisotopic Mass:
422.195g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
90A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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