| CAS Number | 957780-54-0 |
| Catalog Number | AG00IJG5(AGN-PC-0WBOJL) |
| Chemical Name | Fmoc-Lys(Boc)-Ser[Psi(Me,Me)Pro]-OH |
| IUPAC Name | (4S)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid |
| InChI | InChI=1S/C32H41N3O8/c1-31(2,3)43-29(39)33-17-11-10-16-25(27(36)35-26(28(37)38)19-42-32(35,4)5)34-30(40)41-18-24-22-14-8-6-12-20(22)21-13-7-9-15-23(21)24/h6-9,12-15,24-26H,10-11,16-19H2,1-5H3,(H,33,39)(H,34,40)(H,37,38)/t25-,26-/m0/s1 |
| InChI Key | SCQJDNYUMSKATK-UIOOFZCWSA-N |
| MDL Number | MFCD18427353 |
| Molecular Formula | C32H41N3O8 |
| Molecular Weight | 595.6832 |
| SMILES | O=[C@@]([C@H]1N(C([C@@H](NC(OCC3C2=C(C4=C3C=CC=C4)C=CC=C2)=O)CCCCNC(OC(C)(C)C)=O)=O)C(C)(C)OC1)O |
| Synonyms | 957780-54-0,
Fmoc-Lys(Boc)-Ser[Psi(Me,Me)Pro]-OH,
Fmoc-Lys(Boc)-Ser(Psime,Mepro)-OH,
C32H41N3O8,
Fmoc-Lys(Boc)-Ser{psi(Me,Me)pro}-OH,
6953AH,
MFCD18427353,
AKOS030213793,
ZINC101683624,
CF-1365,
(S)-3-(N-alpha-(9-FMOC)-N-epsilon-BOC-L-lysinyl)-2,2-dimethyloxazolidine-4-carboxylic acid,
Fmoc-Lys(Boc)-Ser(Psi(Me,Me)pro)-OH,
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| Complexity | 989 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 595.289g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 43 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 595.693g/mol |
| Monoisotopic Mass | 595.289g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 144A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number