| CAS Number | 324017-22-3 |
| Catalog Number | AG00CJG2(AGN-PC-0WD3U8) |
| Chemical Name | 4-[(Aminocarbonyl)Amino]-N-[(9H-Fluoren-9-Ylmethoxy)Carbonyl]-D-Phenylalanine |
| IUPAC Name | (2R)-3-[4-(carbamoylamino)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C25H23N3O5/c26-24(31)27-16-11-9-15(10-12-16)13-22(23(29)30)28-25(32)33-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,28,32)(H,29,30)(H3,26,27,31)/t22-/m1/s1 |
| InChI Key | HFPDOFBZCSQAEJ-JOCHJYFZSA-N |
| MDL Number | MFCD26743751 |
| Molecular Formula | C25H23N3O5 |
| Molecular Weight | 445.4672 |
| SMILES | O=C(O)[C@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CC=C(NC(N)=O)C=C4 |
| Synonyms | Fmoc-D-Aph(Cbm)-OH,
324017-22-3,
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-ureidophenyl)propanoic acid,
(2R)-3-[4-(carbamoylamino)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic Acid,
KS-00001BCB,
DTXSID30444216,
4-[(AMinocarbonyl)aMino]-N-[(9H-fluoren-9-ylMethoxy)carbonyl]-D-phenylalanine,
MolPort-035-677-459,
MFCD26743751,
ZINC95830580,
AK141856,
AJ-134719,
AX8281989,
CS-0037288,
Methyl 2-bromo-5-methoxybenzoate,
CID10741976,
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| Complexity | 686 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 445.164g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 445.475g/mol |
| Monoisotopic Mass | 445.164g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 131A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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