| CAS Number | 779335-06-7 |
| Catalog Number | AG0056IE(AGN-PC-0UCMLG) |
| Chemical Name | Boc-3-amino-5-(fmoc-amino)-benzoic acid |
| IUPAC Name | 3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid |
| InChI | InChI=1S/C27H26N2O6/c1-27(2,3)35-26(33)29-18-13-16(24(30)31)12-17(14-18)28-25(32)34-15-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-14,23H,15H2,1-3H3,(H,28,32)(H,29,33)(H,30,31) |
| InChI Key | KNYZSHDTFJANSS-UHFFFAOYSA-N |
| MDL Number | MFCD04112671 |
| Molecular Formula | C27H26N2O6 |
| Molecular Weight | 474.5051 |
| SMILES | O=C(O)C1=CC(NC(OCC3C2=CC=CC=C2C4=CC=CC=C34)=O)=CC(NC(OC(C)(C)C)=O)=C1 |
| Synonyms | 779335-06-7,
Boc-3-amino-5-(Fmoc-amino)benzoic acid,
AC1MBSKG,
SCHEMBL3799244,
ZINC2526796,
MFCD04112671,
AKOS025404046,
3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic Acid,
AK186352,
V7746,
A-8264,
C27H26N2O6,
BOC-3-AMINO-5-(FMOC-AMINO)-BENZOIC ACID,
CID2755998,
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| Complexity | 758 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 474.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 474.513g/mol |
| Monoisotopic Mass | 474.179g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number