| CAS Number | 197892-14-1 |
| Catalog Number | AG00I3M2(AGN-PC-0QPEZ8) |
| Chemical Name | Boc-Dab(Z)-Ol (S) |
| IUPAC Name | benzyl N-[(3S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate |
| InChI | InChI=1S/C17H26N2O5/c1-17(2,3)24-16(22)19-14(11-20)9-10-18-15(21)23-12-13-7-5-4-6-8-13/h4-8,14,20H,9-12H2,1-3H3,(H,18,21)(H,19,22)/t14-/m0/s1 |
| InChI Key | SLMOCVXNGYHGJK-AWEZNQCLSA-N |
| MDL Number | MFCD22381071 |
| Molecular Formula | C17H26N2O5 |
| Molecular Weight | 338.3987 |
| SMILES | CC(C)(C)OC(=O)N[C@H](CO)CCNC(=O)OCc1ccccc1 |
| Synonyms | 197892-14-1,
(S)-2-(Boc-amino)-4-(Z-amino)-1-butanol,
Boc-Dab(Z)-Ol (S),
SCHEMBL6619895,
SLMOCVXNGYHGJK-AWEZNQCLSA-N,
6306AH,
MFCD22381071,
ZINC39050581,
AKOS027255605,
CS-0047398,
A-8539,
Benzyl tert-butyl (4-hydroxybutane-1,3-diyl)(S)-dicarbamate,
benzyl{(3s)-3-[(tert-butoxycarbonyl)amino]-4-hydroxybutyl}carbamate,
Carbamic acid,[(3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxybutyl]-,phenylmethyl ester,
C17H26N2O5,
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| Complexity | 389 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 338.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.404g/mol |
| Monoisotopic Mass | 338.184g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 96.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number