| CAS Number | 143457-40-3 |
| Catalog Number | AG006UZS(AGN-PC-03H4LS) |
| Chemical Name | TAPI-0 |
| IUPAC Name | N-[1-[(1-amino-1-oxopropan-2-yl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide |
| InChI | InChI=1S/C24H32N4O5/c1-14(2)10-19(13-21(29)28-33)23(31)27-20(24(32)26-15(3)22(25)30)12-16-8-9-17-6-4-5-7-18(17)11-16/h4-9,11,14-15,19-20,33H,10,12-13H2,1-3H3,(H2,25,30)(H,26,32)(H,27,31)(H,28,29) |
| InChI Key | CRCPLBFLOSEABN-UHFFFAOYSA-N |
| MDL Number | MFCD02684279 |
| Molecular Formula | C24H32N4O5 |
| Molecular Weight | 456.5347 |
| SMILES | ONC(=O)CC(C(=O)NC(C(=O)NC(C(=O)N)C)Cc1ccc2c(c1)cccc2)CC(C)C |
| Synonyms | TAPI-0,
143457-40-3,
SCHEMBL12561524,
CTK8F1320,
RT-015879,
J-007817,
TAPI (inhibitor),
TAPI,
C24-H32-N4-O,
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| Complexity | 698 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 456.237g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 456.543g/mol |
| Monoisotopic Mass | 456.237g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 151A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number