| CAS Number | 1421866-48-9 |
| Catalog Number | AG01FPMA(AGN-PC-3H5P2B) |
| Chemical Name | Apimostinel |
| IUPAC Name | (2R)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-benzylpyrrolidine-2-carboxamide |
| InChI | InChI=1S/C25H37N5O6/c1-15(31)19(26)23(35)29-12-6-10-18(29)22(34)30-13-7-11-25(30,14-17-8-4-3-5-9-17)24(36)28-20(16(2)32)21(27)33/h3-5,8-9,15-16,18-20,31-32H,6-7,10-14,26H2,1-2H3,(H2,27,33)(H,28,36)/t15-,16-,18+,19+,20+,25-/m1/s1 |
| InChI Key | DVBUEXCIEIAXPM-PJUQSVSOSA-N |
| MDL Number | MFCD05666011 |
| Molecular Formula | C25H37N5O6 |
| Molecular Weight | 503.5912 |
| SMILES | C([C@]1(C(N[C@@H]([C@@H](C)O)C(N)=O)=O)N(C(=O)[C@H]2N(C([C@H]([C@@H](C)O)N)=O)CCC2)CCC1)C3=CC=CC=C3 |
| UNII | TTT1F11FZB |
| Synonyms | Apimostinel,
NRX-1074,
UNII-TTT1F11FZB,
TTT1F11FZB,
Apimostinel (USAN),
Apimostinel [USAN],
1421866-48-9,
CHEMBL3989872,
SCHEMBL14682282,
DB11784,
HY-102053,
CS-0022853,
D11299,
Q27290341,
Threonyl-prolyl-2R-(2-benzyl)-prolyl-threonine amide,
L-Threoninamide, L-threonyl-L-prolyl-2-(phenylmethyl)-L-prolyl-,
|
| Complexity | 834 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 503.274384g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 503.6g/mol |
| Monoisotopic Mass | 503.274384g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 179Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number