| CAS Number | 268542-17-2 |
| Catalog Number | AG00C2XC(AGN-PC-0R2REK) |
| Chemical Name | (S)-N-4-Fmoc-N-8-Boc-diaminooctanoic acid |
| IUPAC Name | (4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-8-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid |
| InChI | InChI=1S/C28H36N2O6/c1-28(2,3)36-26(33)29-17-9-8-10-19(15-16-25(31)32)30-27(34)35-18-24-22-13-6-4-11-20(22)21-12-5-7-14-23(21)24/h4-7,11-14,19,24H,8-10,15-18H2,1-3H3,(H,29,33)(H,30,34)(H,31,32)/t19-/m0/s1 |
| InChI Key | CVSRIVMKVMATII-IBGZPJMESA-N |
| MDL Number | MFCD02179640 |
| Molecular Formula | C28H36N2O6 |
| Molecular Weight | 496.5952 |
| SMILES | O=C(N[C@H](CCC(=O)O)CCCCNC(=O)OC(C)(C)C)OCC1c2ccccc2-c2c1cccc2 |
| Synonyms | (S)-N-4-Fmoc-N-8-Boc-diaminooctanoic acid,
268542-17-2,
C28H36N2O6,
AC1MBSQF,
4454AH,
MFCD02179640,
ZINC14632604,
ACM268542172,
(S)-N-4-Fmoc-N-8-Boc-diaminooctanoic acid, AldrichCPR,
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-8-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid,
CID2756071,
-N-4-FMOC-N-8-BOC-DIAMINOOCTANOICACID,
4-(9H-fluoren-9-ylmethoxycarbonylamino)-8-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic Acid,
|
| Complexity | 714 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 496.257g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 496.604g/mol |
| Monoisotopic Mass | 496.257g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number