| CAS Number | 118534-81-9 |
| Catalog Number | AG008T42(AGN-PC-0PC2D3) |
| Chemical Name | Fmoc-Asp(O-1-Ad)-OH |
| IUPAC Name | (2S)-4-(1-adamantyloxy)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid |
| InChI | InChI=1S/C29H31NO6/c31-26(36-29-13-17-9-18(14-29)11-19(10-17)15-29)12-25(27(32)33)30-28(34)35-16-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-8,17-19,24-25H,9-16H2,(H,30,34)(H,32,33)/t17?,18?,19?,25-,29?/m0/s1 |
| InChI Key | VLMHFLIBCSCIRT-QDPBCONJSA-N |
| MDL Number | MFCD00077309 |
| Molecular Formula | C29H31NO6 |
| Molecular Weight | 489.5595 |
| SMILES | C1C2CC3CC1CC(C2)(C3)OC(=O)C[C@@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46 |
| Synonyms | 118534-81-9,
Fmoc-Asp(O-1-Ad)-OH,
Fmoc-L-Aspartic acid beta-1-adamantyl ester,
C29H31NO6,
Fmoc-L-aspartic acid b-1-adamantyl ester,
FMOC-ASP(O-1-ADA)-OH,
6792AH,
MFCD00077309,
ZINC95495857,
VLMHFLIBCSCIRT-QDPBCONJSA-N,
|
| Complexity | 809 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 489.215g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 489.568g/mol |
| Monoisotopic Mass | 489.215g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number