| CAS Number | 1417789-17-3 |
| Catalog Number | AG00JKHT(AGN-PC-0WBOJ6) |
| Chemical Name | (S)-Fmoc-2-amino-5-(tritylthio)-pentanoic acid |
| IUPAC Name | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-tritylsulfanylpentanoic acid |
| InChI | InChI=1S/C39H35NO4S/c41-37(42)36(40-38(43)44-27-35-33-23-12-10-21-31(33)32-22-11-13-24-34(32)35)25-14-26-45-39(28-15-4-1-5-16-28,29-17-6-2-7-18-29)30-19-8-3-9-20-30/h1-13,15-24,35-36H,14,25-27H2,(H,40,43)(H,41,42)/t36-/m0/s1 |
| InChI Key | POEDPRJPBCNZHB-BHVANESWSA-N |
| MDL Number | MFCD21364742 |
| Molecular Formula | C39H35NO4S |
| Molecular Weight | 613.7645 |
| SMILES | O=C(O)[C@H](CCCSC(C2=CC=CC=C2)(C3=CC=CC=C3)C1=CC=CC=C1)NC(OCC5C4=C(C6=C5C=CC=C6)C=CC=C4)=O |
| Synonyms | (S)-Fmoc-2-amino-5-(tritylthio)-pentanoic acid,
1417789-17-3,
C39H35NO4S,
SCHEMBL17980339,
4441AH,
MFCD21364742,
ZINC263617774,
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| Complexity | 872 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 613.229g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 45 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 613.772g/mol |
| Monoisotopic Mass | 613.229g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 8.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number