| CAS Number | 1807521-06-7 |
| Catalog Number | AG00I081(AGN-PC-0WR1NP) |
| Chemical Name | (2-[(4-([Bis-(2-tert-butoxycarbonylamino-ethyl)-amino]-methyl)-benzyl)-(2-tert-butoxycarbonylamino-ethyl)-amino]-ethyl)-carbamic acid tert-butyl ester |
| IUPAC Name | tert-butyl N-[2-[[4-[[bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]methyl]phenyl]methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate |
| InChI | InChI=1S/C36H64N6O8/c1-33(2,3)47-29(43)37-17-21-41(22-18-38-30(44)48-34(4,5)6)25-27-13-15-28(16-14-27)26-42(23-19-39-31(45)49-35(7,8)9)24-20-40-32(46)50-36(10,11)12/h13-16H,17-26H2,1-12H3,(H,37,43)(H,38,44)(H,39,45)(H,40,46) |
| InChI Key | CUDDHCKPZHRECU-UHFFFAOYSA-N |
| MDL Number | MFCD28142457 |
| Molecular Formula | C36H64N6O8 |
| Molecular Weight | 708.9288 |
| SMILES | O=C(OC(C)(C)C)NCCN(Cc1ccc(cc1)CN(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C |
| Synonyms | (2-[(4-([Bis-(2-tert-butoxycarbonylamino-ethyl)-amino]-methyl)-benzyl)-(2-tert-butoxycarbonylamino-ethyl)-amino]-ethyl)-carbamic acid tert-butyl ester,
1807521-06-7,
{2-[(4-{[Bis-(2-tert-butoxycarbonylamino-ethyl)-amino]-methyl}-benzyl)-(2-tert-butoxycarbonylamino-ethyl)-amino]-ethyl}-carbamic acid tert-butyl ester,
ZINC219025248,
BP-22351,
|
| Complexity | 887 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 708.479g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 50 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 708.942g/mol |
| Monoisotopic Mass | 708.479g/mol |
| Rotatable Bond Count | 24 |
| Topological Polar Surface Area | 160A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number