Home Carboxys (2S,5S)-Fmoc-5-amino-1,2,4,5,6,7-hexahydro-azepino [3,2,1-hi] indole-4-one-2-carboxylic acid

(2S,5S)-Fmoc-5-amino-1,2,4,5,6,7-hexahydro-azepino [3,2,1-hi] indole-4-one-2-carboxylic acid

CAS No.:
204326-24-9
Catalog Number:
AG0029G3
Molecular Formula:
C28H26N2O5
Molecular Weight:
470.5164
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
≥ 98% (HPLC)
1 week
United States
$213
- +
100mg
≥ 98% (HPLC)
1 week
United States
$374
- +
250mg
≥ 98% (HPLC)
1 week
United States
$725
- +
1g
≥ 98% (HPLC)
1 week
United States
$1865
- +
5g
≥ 98% (HPLC)
1 week
United States
$8298
- +
Product Description
Catalog Number:
AG0029G3
Chemical Name:
(2S,5S)-Fmoc-5-amino-1,2,4,5,6,7-hexahydro-azepino [3,2,1-hi] indole-4-one-2-carboxylic acid
CAS Number:
204326-24-9
Molecular Formula:
C28H26N2O5
Molecular Weight:
470.5164
MDL Number:
MFCD00673792
IUPAC Name:
(2S,11S)-11-(9H-fluoren-9-ylmethoxycarbonylamino)-12-oxo-1-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-carboxylic acid
InChI:
InChI=1S/C28H24N2O5/c31-26-23(13-12-16-6-5-7-17-14-24(27(32)33)30(26)25(16)17)29-28(34)35-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-11,22-24H,12-15H2,(H,29,34)(H,32,33)/t23-,24-/m0/s1
InChI Key:
NHNOPJNRVODSCV-ZEQRLZLVSA-N
SMILES:
O=C(N[C@H]1CCc2c3C1C(=O)C[C@@H](Cn3cc2)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
825  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
468.169g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
468.509g/mol
Monoisotopic Mass:
468.169g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties