| CAS Number | 1212895-19-6 |
| Catalog Number | AG00HG2P(AGN-PC-0WBOB6) |
| Chemical Name | Boc-D-2-Aminomethylphe(Fmoc) |
| IUPAC Name | (2R)-3-[2-[(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)16-19-10-4-5-11-20(19)17-31-28(35)37-18-25-23-14-8-6-12-21(23)22-13-7-9-15-24(22)25/h4-15,25-26H,16-18H2,1-3H3,(H,31,35)(H,32,36)(H,33,34)/t26-/m1/s1 |
| InChI Key | URDGEKHRYXDFMC-AREMUKBSSA-N |
| MDL Number | MFCD18319150 |
| Molecular Formula | C30H32N2O6 |
| Molecular Weight | 516.5849 |
| SMILES | CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1CNC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(O)=O |
| Synonyms | Boc-D-2-Aminomethylphe(Fmoc),
1212895-19-6,
Boc-2-(Fmoc-aminomethyl)-D-phenylalanine,
(2R)-3-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid,
AC1OGBGV,
ZINC4241969,
6300AH,
MFCD06659122,
AK188178,
PS-12798,
boc-D-2-aminomethylphe(fmoc), AldrichCPR,
(2R)-2-(tert-butoxycarbonylamino)-3-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]propanoic acid,
(2R)-2-(tert-butoxycarbonylamino)-3-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]propionic acid,
(2R)-3-[2-[[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]methyl]phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid,
C30H32N2O6,
CID7146245,
CID 2762276,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number