| CAS Number | 84787-81-5 |
| Catalog Number | AG004OLW(AGN-PC-0OJBTW) |
| Chemical Name | (S)-Ethyl 4-amino-2-((tert-butoxycarbonyl)amino)-4-oxobutanoate |
| EC Number | 284-123-7 |
| IUPAC Name | ethyl (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate |
| InChI | InChI=1S/C11H20N2O5/c1-5-17-9(15)7(6-8(12)14)13-10(16)18-11(2,3)4/h7H,5-6H2,1-4H3,(H2,12,14)(H,13,16)/t7-/m0/s1 |
| InChI Key | QTFVCKXWOYFEPQ-ZETCQYMHSA-N |
| MDL Number | MFCD15141969 |
| Molecular Formula | C11H20N2O5 |
| Molecular Weight | 260.2869 |
| SMILES | O=C(OCC)[C@@H](NC(OC(C)(C)C)=O)CC(N)=O |
| Synonyms | 84787-81-5,
Boc-Asn-Oet,
(S)-Ethyl 4-amino-2-((tert-butoxycarbonyl)amino)-4-oxobutanoate,
KS-00000RX1,
MFCD15141969,
ZINC64219599,
DS-6522,
AJ-114842,
AX8282490,
ethyl N2-[(tert-butoxy)carbonyl]-L-argininate,
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| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.29g/mol |
| Monoisotopic Mass | 260.137g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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