| CAS Number | 1415246-68-2 |
| Catalog Number | AG009CDI |
| Chemical Name | MMAF (Hydrochloride) |
| IUPAC Name | (2S)-2-[[(2R,3R)-3-methoxy-3-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]-3-phenylpropanoic acid;hydrochloride |
| InChI | InChI=1S/C39H65N5O8.ClH/c1-12-25(6)34(43(9)38(48)33(24(4)5)42-37(47)32(40-8)23(2)3)30(51-10)22-31(45)44-20-16-19-29(44)35(52-11)26(7)36(46)41-28(39(49)50)21-27-17-14-13-15-18-27;/h13-15,17-18,23-26,28-30,32-35,40H,12,16,19-22H2,1-11H3,(H,41,46)(H,42,47)(H,49,50);1H/t25-,26+,28-,29-,30+,32-,33-,34-,35+;/m0./s1 |
| InChI Key | BUPKFQQDMNUXOY-KMYLZLQDSA-N |
| MDL Number | MFCD30207868 |
| Molecular Formula | C39H66ClN5O8 |
| Molecular Weight | 768.4230 |
| SMILES | C(C)(C)[C@H](NC)C(N[C@H](C(N([C@@H]([C@@H](C)CC)[C@H](OC)CC(N1[C@]([H])([C@H](OC)[C@@H](C)C(=O)N[C@H](C(O)=O)CC2C=CC=CC=2)CCC1)=O)C)=O)C(C)C)=O.Cl |
| Synonyms | MMAF (Hydrochloride),
1415246-68-2,
HY-15579A,
AKOS030526500,
CS-3105,
MMAF Hydrochloride,
|
| Complexity | 1160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 9 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 767.46g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 53 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 768.434g/mol |
| Monoisotopic Mass | 767.46g/mol |
| Rotatable Bond Count | 21 |
| Topological Polar Surface Area | 167A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number