| CAS Number | 211056-85-8 |
| Catalog Number | AG002L5L(AGN-PC-0WBO5S) |
| Chemical Name | Boc-Asn-Gly-OEt |
| IUPAC Name | ethyl 2-[[(2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]amino]acetate |
| InChI | InChI=1S/C13H23N3O6/c1-5-21-10(18)7-15-11(19)8(6-9(14)17)16-12(20)22-13(2,3)4/h8H,5-7H2,1-4H3,(H2,14,17)(H,15,19)(H,16,20)/t8-/m0/s1 |
| InChI Key | BPUCEFIHQRKEGS-QMMMGPOBSA-N |
| MDL Number | MFCD00270491 |
| Molecular Formula | C13H23N3O6 |
| Molecular Weight | 317.3382 |
| SMILES | CCOC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)CC(=O)N |
| Synonyms | Boc-Asn-Gly-OEt,
211056-85-8,
AC1ODSVH,
CTK8E8103,
DTXSID70427240,
C13H23N3O6,
ZINC2562510,
6275AH,
MFCD00270491,
AKOS030253256,
ACM211056858,
RT-011711,
K-6080,
Glycine, N2-[(1,1-dimethylethoxy)carbonyl]-L-asparaginyl-, ethyl ester,
ethyl 2-[[(2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]amino]acetate,
ZINC03120449,
CID7020328,
|
| Complexity | 430 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.342g/mol |
| Monoisotopic Mass | 317.159g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 137A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number