| CAS Number | 1101136-50-8 |
| Catalog Number | AG007DWB(AGN-PC-0WAHDW) |
| Chemical Name | 4-[(1-oxo-7-Phenylheptyl)amino]-(4R)-octanoic acid |
| IUPAC Name | (4R)-4-(7-phenylheptanoylamino)octanoic acid |
| InChI | InChI=1S/C21H33NO3/c1-2-3-14-19(16-17-21(24)25)22-20(23)15-10-5-4-7-11-18-12-8-6-9-13-18/h6,8-9,12-13,19H,2-5,7,10-11,14-17H2,1H3,(H,22,23)(H,24,25)/t19-/m1/s1 |
| InChI Key | ANTPELWBOPVWPH-LJQANCHMSA-N |
| MDL Number | MFCD18382098 |
| Molecular Formula | C21H33NO3 |
| Molecular Weight | 347.4916 |
| SMILES | O=C(N[C@H](CCCC)CCC(O)=O)CCCCCCC1=CC=CC=C1 |
| Synonyms | 4-[(1-OXO-7-PHENYLHEPTYL)AMINO]-(4R)-OCTANOIC ACID,
1101136-50-8,
CHEMBL488920,
SCHEMBL1772407,
CTK8E4700,
HMS3648G08,
1404AH,
ZINC44606690,
AKOS030547708,
RT-017042,
SR-01000946365,
J-002379,
SR-01000946365-1,
C21H33NO3,
(R)-4-(7-Phenylheptanamido)octanoic acid,
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| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.246g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.499g/mol |
| Monoisotopic Mass | 347.246g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number