| CAS Number | 163277-79-0 |
| Catalog Number | AG00ABCV(AGN-PC-0Q8DMZ) |
| Chemical Name | Ac-gln(trt)-oh |
| IUPAC Name | (2S)-2-acetamido-5-oxo-5-(tritylamino)pentanoic acid |
| InChI | InChI=1S/C26H26N2O4/c1-19(29)27-23(25(31)32)17-18-24(30)28-26(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,23H,17-18H2,1H3,(H,27,29)(H,28,30)(H,31,32)/t23-/m0/s1 |
| InChI Key | FYRZQQXVIHKJKQ-QHCPKHFHSA-N |
| MDL Number | MFCD00236753 |
| Molecular Formula | C26H26N2O4 |
| Molecular Weight | 430.4956 |
| SMILES | C(C)(=O)N[C@@H](CCC(NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)=O)C(=O)O |
| Synonyms | AC-GLN(TRT)-OH,
163277-79-0,
(S)-2-Acetamido-5-oxo-5-(tritylamino)pentanoic acid,
6089AH,
MFCD00236753,
ZINC15721576,
AS-49112,
L-Glutamine,n2-acetyl-N-(triphenylmethyl)-,
K-5102,
C26H26N2O4,
|
| Complexity | 586 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 430.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 430.504g/mol |
| Monoisotopic Mass | 430.189g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 95.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number