| CAS Number | 90102-79-7 |
| Catalog Number | AG00GTTM(AGN-PC-0VQ11C) |
| Chemical Name | DL-2-Acetamido-6-(Boc-amino)-4-hexynoic acid DCHA |
| IUPAC Name | 2-acetamido-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-ynoic acid;N-cyclohexylcyclohexanamine |
| InChI | InChI=1S/C13H20N2O5.C12H23N/c1-9(16)15-10(11(17)18)7-5-6-8-14-12(19)20-13(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h10H,7-8H2,1-4H3,(H,14,19)(H,15,16)(H,17,18);11-13H,1-10H2 |
| InChI Key | LPTMHHUXZJYCMC-UHFFFAOYSA-N |
| MDL Number | MFCD00236749 |
| Molecular Formula | C25H43N3O5 |
| Molecular Weight | 465.6260 |
| SMILES | O=C(O)C(NC(C)=O)CC#CCNC(OC(C)(C)C)=O.C1(NC2CCCCC2)CCCCC1 |
| Synonyms | 90102-79-7,
Dicyclohexylamine 2-acetamido-6-((tert-butoxycarbonyl)amino)hex-4-ynoate,
DL-2-ACETAMIDO-6-(BOC-AMINO)-4-HEXYNOIC ACID DCHA,
Boc-Thr-OtBu,
DTXSID50857066,
6623AH,
KM2900,
MFCD00236749,
C13H20N2O5.C12H23N,
AKOS022175240,
AK142675,
AX8282489,
4CH-022417,
ST24046509,
DL-2-Acetamido-6-(Boc-amino)-4-hexynoic acid,
DL-2-Acetamido-6-(Boc-amino)-4-hexynoic acid . DCHA,
DL-2-ACETAMIDO-6-(BOC-AMINO)-4-HEXYNOICACIDDCHA,
DL-2-Acetamido-6-(Boc-amino)-4-hexynoic acid DCHA, AldrichCPR,
2-Acetamido-6-[(tert-butoxycarbonyl)amino]hex-4-ynoic acid--N-cyclohexylcyclohexanamine (1/1),
DCHA,
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| Complexity | 555 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 465.32g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 465.635g/mol |
| Monoisotopic Mass | 465.32g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number