| CAS Number | 313232-63-2 |
| Catalog Number | AG00C806(AGN-PC-0WAKNK) |
| Chemical Name | Fmoc-Alg(Boc)2-OH |
| IUPAC Name | (2S)-3-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C29H36N4O8/c1-28(2,3)40-26(37)32-24(33-27(38)41-29(4,5)6)30-15-22(23(34)35)31-25(36)39-16-21-19-13-9-7-11-17(19)18-12-8-10-14-20(18)21/h7-14,21-22H,15-16H2,1-6H3,(H,31,36)(H,34,35)(H2,30,32,33,37,38)/t22-/m0/s1 |
| InChI Key | KWUNKMXCVKSAEL-QFIPXVFZSA-N |
| MDL Number | MFCD01632272 |
| Molecular Formula | C29H36N4O8 |
| Molecular Weight | 568.6181 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(N[C@@H](CN=C(NC(OC(C)(C)C)=O)NC(=O)OC(C)(C)C)C(=O)O)=O |
| Synonyms | Fmoc-Agp(Boc)2-OH,
313232-63-2,
Fmoc-L-Agp(Boc)2-OH,
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-((2,2,10,10-tetramethyl-4,8-dioxo-3,9-dioxa-5,7-diazaundecan-6-ylidene)amino)propanoic acid,
C29H36N4O8,
6914AH,
MFCD01632272,
AKOS030212485,
ZINC100230493,
A-7725,
(S)-N-2-(9-Fluorenylmethyloxycarbonyl)-N-3-((bis-t-butyloxycarbonyl)amidino]-2,3-diamino-propionic acid,
(S)-N-Alpha-(9-fluorenylmethyloxycarbonyl)-N,N'-bis-t-butyloxycarbonyl-2-amino-3-guanidino-propionic acid,
|
| Complexity | 932 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 568.253g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 41 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 568.627g/mol |
| Monoisotopic Mass | 568.253g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 165A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number