| CAS Number | 721927-81-7 |
| Catalog Number | AG00IC8J(AGN-PC-0WBOHU) |
| Chemical Name | Boc-Dap(Z)-OL |
| IUPAC Name | benzyl N-[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate |
| InChI | InChI=1S/C16H24N2O5/c1-16(2,3)23-15(21)18-13(10-19)9-17-14(20)22-11-12-7-5-4-6-8-12/h4-8,13,19H,9-11H2,1-3H3,(H,17,20)(H,18,21)/t13-/m0/s1 |
| InChI Key | JQIQDJDXPRRWIN-ZDUSSCGKSA-N |
| MDL Number | MFCD04973119 |
| Molecular Formula | C16H24N2O5 |
| Molecular Weight | 324.3722 |
| SMILES | C(OC(NC[C@H](NC(OC(C)(C)C)=O)CO)=O)C1=CC=CC=C1 |
| Synonyms | Boc-Dap(Z)-OL,
721927-81-7,
SCHEMBL14497009,
JQIQDJDXPRRWIN-ZDUSSCGKSA-N,
ZINC71788822,
AKOS030212273,
AK668227,
DS-19865,
Nalpha-Boc-Nbeta-Z-L-2,3-diaminopropan-1-ol,
benzyl tert-butyl [(2S)-3-hydroxypropane-1,2-diyl]biscarbamate,
AC1Q1MUC,
tert-butyl N-[(2S)-1-{[(benzyloxy)carbonyl]amino}-3-hydroxypropan-2-yl]carbamate,
|
| Complexity | 375 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.168522g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.37g/mol |
| Monoisotopic Mass | 324.168522g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 96.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number