| CAS Number | 145881-13-6 |
| Catalog Number | AG00ACSN(AGN-PC-0PXSNW) |
| Chemical Name | Boc-d-arg(z)2-oh |
| IUPAC Name | (2R)-5-[bis(phenylmethoxycarbonylamino)methylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid |
| InChI | InChI=1S/C27H34N4O8/c1-27(2,3)39-26(36)29-21(22(32)33)15-10-16-28-23(30-24(34)37-17-19-11-6-4-7-12-19)31-25(35)38-18-20-13-8-5-9-14-20/h4-9,11-14,21H,10,15-18H2,1-3H3,(H,29,36)(H,32,33)(H2,28,30,31,34,35)/t21-/m1/s1 |
| InChI Key | ZWRJPLNCTNRXPE-OAQYLSRUSA-N |
| MDL Number | MFCD00236825 |
| Molecular Formula | C27H34N4O8 |
| Molecular Weight | 542.5809 |
| SMILES | O=C(NC(=NC(=O)OCc1ccccc1)NCCC[C@H](C(=O)O)NC(=O)OC(C)(C)C)OCc1ccccc1 |
| Synonyms | BOC-D-ARG(Z)2-OH,
145881-13-6,
Boc-D-Arg(Z)-OH,
SCHEMBL18659585,
6313AH,
MFCD00236825,
ZINC71788039,
AKOS015909660,
K-4666,
I14-32631,
Nalpha-(tert-Butoxycarbonyl)-omega,omega'-bis(benzyloxycarbonyl)-D-arginine,
11-Oxa-2,4,9-triazatridecanoicacid,8-carboxy-3-imino-12,12-dimethyl-10-oxo-4-[(phenylmethoxy)carbonyl]-,1-(phenylmethyl)ester,(8R)-,
ZWRJPLNCTNRXPE-OAQYLSRUSA-N,
C27H34N4O8,
|
| Complexity | 792 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 542.238g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 542.589g/mol |
| Monoisotopic Mass | 542.238g/mol |
| Rotatable Bond Count | 16 |
| Topological Polar Surface Area | 165A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number