| CAS Number | 42002-18-6 |
| Catalog Number | AG00C7QE(AGN-PC-0WBO47) |
| Chemical Name | BOC-ASN-OSU |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate |
| InChI | InChI=1S/C13H19N3O7/c1-13(2,3)22-12(21)15-7(6-8(14)17)11(20)23-16-9(18)4-5-10(16)19/h7H,4-6H2,1-3H3,(H2,14,17)(H,15,21)/t7-/m0/s1 |
| InChI Key | OVQPXDHWGIUBIA-ZETCQYMHSA-N |
| MDL Number | MFCD00190785 |
| Molecular Formula | C13H19N3O7 |
| Molecular Weight | 329.3059 |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)ON1C(=O)CCC1=O |
| Synonyms | BOC-ASN-OSU,
42002-18-6,
SCHEMBL3750972,
OVQPXDHWGIUBIA-ZETCQYMHSA-N,
C13H19N3O7,
ZINC2556540,
6276AH,
MFCD00190785,
ACM42002186,
AS-48983,
K-8771,
(S)-2,5-dioxopyrrolidin-1-yl 4-amino-2-(tert-butoxycarbonylamino)-4-oxobutanoate,
(S)-2-tert-butoxycarbonylamino-succinamic acid 2,5-dioxo-pyrrolidin-1-yl ester,
NSC186909,
CID10892826,
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| Complexity | 522 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.309g/mol |
| Monoisotopic Mass | 329.122g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 145A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number