| CAS Number | 1410809-37-8 |
| Catalog Number | AG01B2DD |
| Chemical Name | (2S)-3-amino-N-hydroxy-2-[(4-{4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diyn-1-yl}phenyl)formamido]-3-methylbutanamide; trifluoroacetic acid |
| IUPAC Name | N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzamide;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C20H23N3O4.C2HF3O2/c1-20(2,21)17(19(26)23-27)22-18(25)14-9-7-13(8-10-14)5-3-4-6-15-11-16(15)12-24;3-2(4,5)1(6)7/h7-10,15-17,24,27H,11-12,21H2,1-2H3,(H,22,25)(H,23,26);(H,6,7)/t15-,16+,17-;/m1./s1 |
| InChI Key | JDWOCPXDDCJBBA-UNLWNTODSA-N |
| MDL Number | MFCD29991589 |
| Molecular Formula | C22H24F3N3O6 |
| Molecular Weight | 483.4377 |
| SMILES | CC([C@@H](C(NO)=O)NC(C1=CC=C(C#CC#C[C@H]2[C@H](CO)C2)C=C1)=O)(N)C.OC(C(F)(F)F)=O |
| Synonyms | 1410809-37-8,
(2S)-3-amino-N-hydroxy-2-[(4-{4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diyn-1-yl}phenyl)formamido]-3-methylbutanamide; trifluoroacetic acid,
ACHN 975,
SCHEMBL16912673,
AKOS030761018,
Z2768390156,
N-((S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl)-4-(((1R,2R)-2-(hydroxymethyl)cyclopropyl)buta-1,3-diyn-1-yl)benzamide 2,2,2-trifluoroacetate,
(2S)-3-amino-N-hydroxy-2-[(4-{4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diyn-1-yl}phenyl)formamido]-3-methylbutanamide, trifluoroacetic acid,
|
| Complexity | 781 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 483.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 483.444g/mol |
| Monoisotopic Mass | 483.162g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 162A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number