| CAS Number | 1217637-40-5 |
| Catalog Number | AG009G7L(AGN-PC-0WBOAG) |
| Chemical Name | FMOC-D-3-CARBAMOYLPHE |
| IUPAC Name | (2R)-3-(3-carbamoylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C25H22N2O5/c26-23(28)16-7-5-6-15(12-16)13-22(24(29)30)27-25(31)32-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H2,26,28)(H,27,31)(H,29,30)/t22-/m1/s1 |
| InChI Key | YOTDQRFXBNPJQA-JOCHJYFZSA-N |
| MDL Number | MFCD06659136 |
| Molecular Formula | C25H22N2O5 |
| Molecular Weight | 430.4526 |
| SMILES | O=C(N[C@H](CC1=CC(C(N)=O)=CC=C1)C(O)=O)OCC2C3=C(C4=C2C=CC=C4)C=CC=C3 |
| Synonyms | Fmoc-D-3-Carbamoylphe,
1217637-40-5,
Fmoc-D-3-Carbamoylphenylalanine,
(2R)-3-(3-carbamoylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic Acid,
AC1OGBFJ,
ZINC4241954,
6812AH,
MFCD06659136,
PS-12791,
(2R)-3-(3-aminocarbonylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid,
(2R)-3-(3-carbamoylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid,
(2R)-3-(3-carbamoylphenyl)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid,
C25H22N2O5,
CID7146229,
|
| Complexity | 676 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 430.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 430.46g/mol |
| Monoisotopic Mass | 430.153g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 119A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number