| CAS Number | 130812-44-1 |
| Catalog Number | AG00HS9E(AGN-PC-0PJBTL) |
| Chemical Name | D-Tryptophan, N-[(phenylmethoxy)carbonyl]-, methyl ester |
| IUPAC Name | methyl (2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate |
| InChI | InChI=1S/C20H20N2O4/c1-25-19(23)18(11-15-12-21-17-10-6-5-9-16(15)17)22-20(24)26-13-14-7-3-2-4-8-14/h2-10,12,18,21H,11,13H2,1H3,(H,22,24)/t18-/m1/s1 |
| InChI Key | DYWXSVJXETXGGQ-GOSISDBHSA-N |
| MDL Number | MFCD11615806 |
| Molecular Formula | C20H20N2O4 |
| Molecular Weight | 352.3838 |
| SMILES | C(C1=CC=CC=C1)OC(=O)N[C@@H](C(=O)OC)CC1=CNC2=CC=CC=C12 |
| Synonyms | 130812-44-1,
Cbz-D-Trp-OMe,
Z-D-Trp-OMe,
ZINC34434282,
N-benzyloxycarbonyl-d-tryptophan methyl ester,
D-Tryptophan, N-[(phenylmethoxy)carbonyl]-, methyl ester,
Z-TRP-OME,
Cbz-D-Tryptophan methyl ester,
CID11268191,
Methyl (2R)-3-(1H-indol-3-yl)-2-phenylmethoxycarbonylamino-propanoate,
2717-76-2,
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| Complexity | 478 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 352.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 352.39g/mol |
| Monoisotopic Mass | 352.142g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number