| CAS Number | 45233-75-8 |
| Catalog Number | AG00DA65(AGN-PC-0OAI0O) |
| Chemical Name | Boc-Val-Gly-OH |
| IUPAC Name | 2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]acetic acid |
| InChI | InChI=1S/C12H22N2O5/c1-7(2)9(10(17)13-6-8(15)16)14-11(18)19-12(3,4)5/h7,9H,6H2,1-5H3,(H,13,17)(H,14,18)(H,15,16)/t9-/m0/s1 |
| InChI Key | BWPKSNMGVTYXQQ-VIFPVBQESA-N |
| MDL Number | MFCD00134861 |
| Molecular Formula | C12H22N2O5 |
| Molecular Weight | 274.3135 |
| SMILES | O=C(O)CNC([C@@H](NC(OC(C)(C)C)=O)C(C)C)=O |
| Synonyms | BOC-VAL-GLY-OH,
45233-75-8,
N-t-butoxycarbonyl-L-valylglycine,
2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-methylbutanamido]acetic acid,
(S)-2-(2-((tert-Butoxycarbonyl)amino)-3-methylbutanamido)acetic acid,
BOC-Val-GlyOH,
SCHEMBL1003572,
BWPKSNMGVTYXQQ-VIFPVBQESA-N,
ZINC2504758,
6465AH,
MFCD00134861,
AKOS024258481,
AJ-36041,
FT-0639846,
K-9012,
(S)-2-(2-(tert-butoxycarbonylamino)-3-methylbutanamido)acetic acid,
C12H22N2O5,
CID7014901,
2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]acetic Acid,
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| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.317g/mol |
| Monoisotopic Mass | 274.153g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number