| CAS Number | 18814-49-8 |
| Catalog Number | AG002GQ2(AGN-PC-0QHAVT) |
| Chemical Name | D-α-Glutamine, N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl-, phenylmethyl ester |
| IUPAC Name | benzyl (2R)-5-amino-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-oxopentanoate |
| InChI | InChI=1S/C20H29N3O6/c1-13(22-19(27)29-20(2,3)4)17(25)23-15(10-11-16(21)24)18(26)28-12-14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3,(H2,21,24)(H,22,27)(H,23,25)/t13-,15+/m0/s1 |
| InChI Key | GNNHDHBJACNYCR-DZGCQCFKSA-N |
| MDL Number | MFCD00235761 |
| Molecular Formula | C20H29N3O6 |
| Molecular Weight | 407.4608 |
| SMILES | O=C(CC[C@H](C(N)=O)NC([C@H](C)NC(OC(C)(C)C)=O)=O)OCC1=CC=CC=C1 |
| Synonyms | 18814-49-8,
SCHEMBL11291089,
MFCD30502864,
ZINC90196608,
AKOS030524139,
DS-3296,
FT-0772118,
D-a-Glutamine,N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl-, phenylmethyl ester,
BOC-ALA-D-GLU(OBZL)-NH2,
GNNHDHBJACNYCR-DZGCQCFKSA-N,
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| Complexity | 581 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 407.206g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 407.467g/mol |
| Monoisotopic Mass | 407.206g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 137A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number