| CAS Number | 866044-63-5 |
| Catalog Number | AG01FQS8(AGN-PC-0V70TJ) |
| Chemical Name | (S)-2-(2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-(tert-butoxy)-5-oxopentanamido)acetic acid |
| IUPAC Name | 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]acetic acid |
| InChI | InChI=1S/C26H30N2O7/c1-26(2,3)35-23(31)13-12-21(24(32)27-14-22(29)30)28-25(33)34-15-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20-21H,12-15H2,1-3H3,(H,27,32)(H,28,33)(H,29,30)/t21-/m0/s1 |
| InChI Key | PLLNQUBUIXIMLG-NRFANRHFSA-N |
| MDL Number | MFCD30475796 |
| Molecular Formula | C26H30N2O7 |
| Molecular Weight | 482.5256 |
| SMILES | CC(C)(C)OC(CC[C@H](NC(OCC1C2=CC=CC=C2C3=CC=CC=C31)=O)C(NCC(O)=O)=O)=O |
| Synonyms | Fmoc-Glu(OtBu)-Gly-OH,
866044-63-5,
SS-5144,
2-[(2S)-5-(tert-butoxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-oxopentanamido]acetic acid,
ACN-049808,
|
| Complexity | 756 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 482.205301g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 482.5g/mol |
| Monoisotopic Mass | 482.205301g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 131Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number