| CAS Number | 3061-95-8 |
| Catalog Number | AG00C1G5(AGN-PC-0O8RKO) |
| Chemical Name | H-D-Ala-phe-oh |
| IUPAC Name | (2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoic acid |
| InChI | InChI=1S/C12H16N2O3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10+/m1/s1 |
| InChI Key | OMNVYXHOSHNURL-SCZZXKLOSA-N |
| MDL Number | MFCD00066030 |
| Molecular Formula | C12H16N2O3 |
| Molecular Weight | 236.2670 |
| SMILES | O=C(O)[C@@H](NC([C@H](N)C)=O)CC1=CC=CC=C1 |
| Synonyms | H-D-ALA-PHE-OH,
3061-95-8,
D-Ala-Phe-OH,
CHEMBL78953,
ZINC1575525,
BDBM50406920,
MFCD00066030,
AKOS006000135,
SEL14372374,
FT-0634633,
V5043,
K-7321,
C-24832,
H-Ala-Phe-OH,
Alanylphenylalanine,
C12H16N2O3,
CID6992396,
(S)-2-((R)-2-Aminopropanamido)-3-phenylpropanoic acid,
3061-90-3,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.271g/mol |
| Monoisotopic Mass | 236.116g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number