| CAS Number | 1213080-68-2 |
| Catalog Number | AG00A0AE(AGN-PC-0WBOB7) |
| Chemical Name | Boc-3-(Fmoc-aminomethyl)-D-phenylalanine |
| IUPAC Name | (2R)-3-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
| InChI | InChI=1S/C30H32N2O6/c1-30(2,3)38-29(36)32-26(27(33)34)16-19-9-8-10-20(15-19)17-31-28(35)37-18-25-23-13-6-4-11-21(23)22-12-5-7-14-24(22)25/h4-15,25-26H,16-18H2,1-3H3,(H,31,35)(H,32,36)(H,33,34)/t26-/m1/s1 |
| InChI Key | WPPUJXXHNINCPZ-AREMUKBSSA-N |
| MDL Number | MFCD06659123 |
| Molecular Formula | C30H32N2O6 |
| Molecular Weight | 516.5849 |
| SMILES | O=C(O)[C@H](NC(OC(C)(C)C)=O)CC1=CC=CC(CNC(OCC2C3=C(C4=C2C=CC=C4)C=CC=C3)=O)=C1 |
| Synonyms | 1213080-68-2,
Boc-D-3-Aminomethylphe(Fmoc),
(R)-3-(3-(((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)methyl)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid,
(2R)-3-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid,
Boc-3-(Fmoc-aminomethyl)-D-phenylalanine,
AC1OGBI7,
DTXSID40428047,
ZINC4241983,
3791AA,
MFCD06659123,
AJ-49508,
boc-D-3-aminomethylphe(fmoc), AldrichCPR,
AX8245641,
(2R)-2-(tert-butoxycarbonylamino)-3-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]propanoic acid,
(2R)-2-(tert-butoxycarbonylamino)-3-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]propionic acid,
(2R)-3-[3-[[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]methyl]phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid,
C30H32N2O6,
CID7146261,
CID 7146261,
(2r)-3-[3-[(9h-fluoren-9-ylmethoxycarbonylamino)methyl]pheny,
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| Complexity | 804 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 516.226g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 516.594g/mol |
| Monoisotopic Mass | 516.226g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
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Certificate of Analysis
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