| CAS Number | 876622-63-8 |
| Catalog Number | AG00IEPT(AGN-PC-0OL6TS) |
| Chemical Name | N-[(1,1-DIMETHYLETHOXY)CARBONYL]-N-METHYL-L-ALANYL-L-VALINE |
| IUPAC Name | (2S)-3-methyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoic acid |
| InChI | InChI=1S/C14H26N2O5/c1-8(2)10(12(18)19)15-11(17)9(3)16(7)13(20)21-14(4,5)6/h8-10H,1-7H3,(H,15,17)(H,18,19)/t9-,10-/m0/s1 |
| InChI Key | SZJPZVUZNHOPMZ-UWVGGRQHSA-N |
| MDL Number | MFCD22741597 |
| Molecular Formula | C14H26N2O5 |
| Molecular Weight | 302.3666 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(O)=O |
| Synonyms | 876622-63-8,
N-[(1,1-Dimethylethoxy)carbonyl]-N-methyl-L-alanyl-L-valine,
(S)-2-((S)-2-((tert-Butoxycarbonyl)(methyl)amino)propanamido)-3-methylbutanoic acid,
SCHEMBL9937897,
SZJPZVUZNHOPMZ-UWVGGRQHSA-N,
MFCD22741597,
ZINC168966337,
AS-39892,
N-(tert-butoxycarbonyl)-N-methyl-L-alanyl-L-valine,
(S)-2-((S)-2-(tert-butoxycarbonyl(methyl)amino)propanamido)-3-methylbutanoic acid,
(S)-2-[(S)-2-(tert-butoxycarbonyl-methyl-amino)-propionylamino]-3-methyl-butyric acid,
N-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanyl-L-v,
|
| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.371g/mol |
| Monoisotopic Mass | 302.184g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number