| CAS Number | 1263046-90-7 |
| Catalog Number | AG00VRLN(AGN-PC-0WGF81) |
| Chemical Name | 8,13-Bis(tert-butoxycarbonyl)-1-(9H-fluoren-9-yl)-3,18-dioxo-2-oxa-4,8,13,17-tetraazahenicosan-21-oic acid |
| IUPAC Name | 4-[3-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]-4-oxobutanoic acid |
| InChI | InChI=1S/C39H56N4O9/c1-38(2,3)51-36(48)42(25-13-21-40-33(44)19-20-34(45)46)23-11-12-24-43(37(49)52-39(4,5)6)26-14-22-41-35(47)50-27-32-30-17-9-7-15-28(30)29-16-8-10-18-31(29)32/h7-10,15-18,32H,11-14,19-27H2,1-6H3,(H,40,44)(H,41,47)(H,45,46) |
| InChI Key | NRNKBWFMEYXFDI-UHFFFAOYSA-N |
| MDL Number | MFCD08274638 |
| Molecular Formula | C39H56N4O9 |
| Molecular Weight | 724.8834 |
| SMILES | C(C)(C)(C)OC(=O)N(CCCNC(OCC1C2=CC=CC=C2C=2C=CC=CC12)=O)CCCCN(CCCNC(CCC(=O)O)=O)C(=O)OC(C)(C)C |
| Synonyms | Spermine(fbbsuc-oh),
1263046-90-7,
N2,N3-Bis-(t-butyloxycarbonyl)-N1-(9-fluorenylmethyloxycarbonyl)-1,5,10,14-tetra-aza-quatrodecan-N4-succinamic acid,
MFCD08274638,
AKOS030214422,
|
| Complexity | 1150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 724.405g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 52 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 724.896g/mol |
| Monoisotopic Mass | 724.405g/mol |
| Rotatable Bond Count | 23 |
| Topological Polar Surface Area | 164A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number