| CAS Number | 2483-51-4 |
| Catalog Number | AG00C1HH(AGN-PC-0WNGJX) |
| Chemical Name | N-(Benzyloxycarbonyl)-L-alanyl-L-alanine methyl ester |
| IUPAC Name | methyl (2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate |
| InChI | InChI=1S/C15H20N2O5/c1-10(13(18)16-11(2)14(19)21-3)17-15(20)22-9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,16,18)(H,17,20)/t10-,11-/m0/s1 |
| InChI Key | CUCAZZQPISJXOS-QWRGUYRKSA-N |
| MDL Number | MFCD00191050 |
| Molecular Formula | C15H20N2O5 |
| Molecular Weight | 308.3297 |
| SMILES | C[C@@H](C(OC)=O)NC([C@H](C)NC(OCC1=CC=CC=C1)=O)=O |
| Synonyms | Z-Ala-Ala-OMe,
2483-51-4,
Cbz-Ala-Ala-Ome,
N-Benzyloxycarbonyl-l-alanyl-l-alanine methyl ester,
SCHEMBL12022502,
CUCAZZQPISJXOS-QWRGUYRKSA-N,
KS-00000H9Q,
ZINC2556671,
MFCD00191050,
AKOS030527382,
DS-3265,
carbobenzoxy alanyl alanine methyl ester,
FT-0698089,
(S)-methyl 2-((S)-2-(benzyloxycarbonylamino)propanamido)propanoate,
Methyl 2-[(2-([(benzyloxy)carbonyl]amino)propanoyl)amino]propanoate #,
Cbz-Ala-Ala-OMe, 98% - 5G 5g,
CID7019113,
methyl N-[(benzyloxy)carbonyl]alanylalaninate,
|
| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.334g/mol |
| Monoisotopic Mass | 308.137g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 93.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number