| CAS Number | 327981-01-1 |
| Catalog Number | AG00C5PM(AGN-PC-0O8YB1) |
| Chemical Name | Z-Gln(xan)-oh |
| IUPAC Name | (2S)-5-oxo-2-(phenylmethoxycarbonylamino)-5-(9H-xanthen-9-ylamino)pentanoic acid |
| InChI | InChI=1S/C26H24N2O6/c29-23(15-14-20(25(30)31)27-26(32)33-16-17-8-2-1-3-9-17)28-24-18-10-4-6-12-21(18)34-22-13-7-5-11-19(22)24/h1-13,20,24H,14-16H2,(H,27,32)(H,28,29)(H,30,31)/t20-/m0/s1 |
| InChI Key | LHCASNYXSAWPNX-FQEVSTJZSA-N |
| MDL Number | MFCD01862302 |
| Molecular Formula | C26H24N2O6 |
| Molecular Weight | 460.4786 |
| SMILES | OC(=O)[C@H](CCC(=O)NC1C2=CC=CC=C2OC2=CC=CC=C12)NC(=O)OCC1=CC=CC=C1 |
| Synonyms | 327981-01-1,
Z-Gln(Xan)-OH,
Z-Ndelta-xanthyl-L-glutamine,
n-alfa-z-n--xanthyl-l-glutamine,
(S)-5-((9H-Xanthen-9-yl)amino)-2-(((benzyloxy)carbonyl)amino)-5-oxopentanoic acid,
ZINC2386605,
7900AH,
MFCD01862302,
ACM327981011,
AS-49107,
N-alpha-Benzyloxycarbonyl-N-gamma-xantyl-L-glutamine,
C26H24N2O6,
N-[(Phenylmethoxy)carbonyl]-N'-9H-xanthen-9-yl-L-glutamine,
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| Complexity | 687 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 460.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 460.486g/mol |
| Monoisotopic Mass | 460.163g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number