| CAS Number | 915707-71-0 |
| Catalog Number | AG00IXL2(AGN-PC-0WB2PB) |
| Chemical Name | (S)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)-4-((allyloxy)carbonyl)piperazine-2-carboxylic acid |
| IUPAC Name | (2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-prop-2-enoxycarbonylpiperazine-2-carboxylic acid |
| InChI | InChI=1S/C24H24N2O6/c1-2-13-31-23(29)25-11-12-26(21(14-25)22(27)28)24(30)32-15-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h2-10,20-21H,1,11-15H2,(H,27,28)/t21-/m0/s1 |
| InChI Key | HQKQHTTWUFGNQG-NRFANRHFSA-N |
| MDL Number | MFCD09879989 |
| Molecular Formula | C24H24N2O6 |
| Molecular Weight | 436.4572 |
| SMILES | O=C(OCC2(C1(=C(C=CC=C1)C3(=C2C=CC=C3))))N4(C(C(=O)O)CN(C(=O)OCC=C)CC4) |
| Synonyms | 915707-71-0,
(2S)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-[(allyloxy)carbonyl]piperazine-2-carboxylic acid,
MFCD09879989,
ZINC12370887,
AKOS015994490,
SS-4357,
4-allyl 1-(9-H-fluoren-9-ylmethyl) hydrogen (2S)-piperazine-1,2,4-tricarboxylate,
KS-00002B75,
FT-0774160,
(2S)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-[(prop-2-en-1-yloxy)carbonyl]piperazine-2-carboxylic acid,
|
| Complexity | 705 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 436.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 436.464g/mol |
| Monoisotopic Mass | 436.163g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 96.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number