| CAS Number | 200192-48-9 |
| Catalog Number | AG002CL1(AGN-PC-0QR635) |
| Chemical Name | D-Asparagine, N2-[(1,1-dimethylethoxy)carbonyl]-N-9H-xanthen-9-yl- |
| IUPAC Name | (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(9H-xanthen-9-ylamino)butanoic acid |
| InChI | InChI=1S/C22H24N2O6/c1-22(2,3)30-21(28)23-15(20(26)27)12-18(25)24-19-13-8-4-6-10-16(13)29-17-11-7-5-9-14(17)19/h4-11,15,19H,12H2,1-3H3,(H,23,28)(H,24,25)(H,26,27)/t15-/m1/s1 |
| InChI Key | YMGDQLXBNMRJMR-OAHLLOKOSA-N |
| MDL Number | MFCD00076910 |
| Molecular Formula | C22H24N2O6 |
| Molecular Weight | 412.4358 |
| SMILES | CC(C)(C)OC(=O)N[C@H](CC(=O)NC1C2=CC=CC=C2OC2=C1C=CC=C2)C(O)=O |
| Synonyms | Boc-D-Asn(Xan)-OH,
200192-48-9,
N-Boc-Nt-Xanthyl-D-asparagine,
ZINC2554983,
MFCD00076910,
AKOS027327960,
n-alfa-boc-n-gamma-xanthyl-d-asparagine,
AS-48979,
FT-0771362,
X5794,
192B489,
C-54785,
N-alpha-t-Butyloxycarbonyl-N-beta-xantyl-D-asparagine,
(R)-4-(9H-xanthen-9-ylamino)-2-(tert-butoxycarbonylamino)-4-oxobutanoic acid,
BOC-D-ASN -OH,
C22H24N2O6,
CID7018730,
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(9H-xanthen-9-ylcarbamoyl)propanoic Acid,
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| Complexity | 624 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 412.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 412.442g/mol |
| Monoisotopic Mass | 412.163g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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