| CAS Number | 185547-51-7 |
| Catalog Number | AG007TAH(AGN-PC-0QEI2L) |
| Chemical Name | Fmoc-L-Glu-pNA |
| IUPAC Name | (4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(4-nitroanilino)-5-oxopentanoic acid |
| InChI | InChI=1S/C26H23N3O7/c30-24(31)14-13-23(25(32)27-16-9-11-17(12-10-16)29(34)35)28-26(33)36-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22-23H,13-15H2,(H,27,32)(H,28,33)(H,30,31)/t23-/m0/s1 |
| InChI Key | AVFZOZWSEAFFGO-QHCPKHFHSA-N |
| MDL Number | MFCD04112655 |
| Molecular Formula | C26H23N3O7 |
| Molecular Weight | 489.4767 |
| SMILES | O=C(O)CC[C@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)C(NC4=CC=C([N+]([O-])=O)C=C4)=O |
| Synonyms | Fmoc-L-Glu-pNA,
185547-51-7,
N-alpha-(9-Fluorenylmethyloxycarbonyl)-L-glutamyl p-nitroanilid,
AC1MBSPR,
CTK8E9940,
DTXSID70373218,
6932AH,
MFCD04112655,
ZINC14632642,
AKOS027250933,
RT-012990,
A-7211,
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(4-nitroanilino)-5-oxopentanoic acid,
C26H23N3O7,
CID2756063,
4-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(4-nitrophenyl)carbamoyl]butanoic Acid,
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| Complexity | 786 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 489.154g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 489.484g/mol |
| Monoisotopic Mass | 489.154g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 151A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number