| CAS Number | 17351-32-5 |
| Catalog Number | AG00AP8V(AGN-PC-0O4WTW) |
| Chemical Name | For-met-ala-ser |
| IUPAC Name | (2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-3-hydroxypropanoic acid |
| InChI | InChI=1S/C12H21N3O6S/c1-7(10(18)15-9(5-16)12(20)21)14-11(19)8(13-6-17)3-4-22-2/h6-9,16H,3-5H2,1-2H3,(H,13,17)(H,14,19)(H,15,18)(H,20,21)/t7-,8-,9-/m0/s1 |
| InChI Key | FRPHJRVMOFQLPK-CIUDSAMLSA-N |
| MDL Number | MFCD00134891 |
| Molecular Formula | C12H21N3O6S |
| Molecular Weight | 335.3766 |
| SMILES | C(O)(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC=O |
| Synonyms | For-Met-Ala-Ser-OH,
For-Met-Ala-Ser,
17351-32-5,
AC1OLR2E,
formyl methionyl alanyl serine,
C12H21N3O6S,
ZINC4899576,
7009AH,
MFCD00134891,
FT-0637542,
(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-3-hydroxypropanoic acid,
(S)-2-((S)-2-((S)-2-formamido-4-(methylthio)butanamido)propanamido)-3-hydroxypropanoic acid,
CID7408277,
CID 7408277,
|
| Complexity | 406 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.375g/mol |
| Monoisotopic Mass | 335.115g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 170A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number