| CAS Number | 150281-21-3 |
| Catalog Number | AG001MGR(AGN-PC-0Q4JJ2) |
| Chemical Name | S-[(Acetylamino)methyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-homocysteine |
| IUPAC Name | (2S)-4-(acetamidomethylsulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid |
| InChI | InChI=1S/C22H24N2O5S/c1-14(25)23-13-30-11-10-20(21(26)27)24-22(28)29-12-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,19-20H,10-13H2,1H3,(H,23,25)(H,24,28)(H,26,27)/t20-/m0/s1 |
| InChI Key | LKXJXPIRDOELQS-FQEVSTJZSA-N |
| MDL Number | MFCD03788052 |
| Molecular Formula | C22H24N2O5S |
| Molecular Weight | 428.5014 |
| SMILES | O=C(O)[C@H](CCSCNC(C)=O)NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O |
| Synonyms | Fmoc-HoCys(Acm)-OH,
150281-21-3,
ZINC2510585,
MFCD03788052,
Z5657,
L-Homocysteine, S-[(acetylamino)methyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-,
C22H24N2O5S,
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| Complexity | 594 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 428.141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 428.503g/mol |
| Monoisotopic Mass | 428.141g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 130A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number