| CAS Number | 218938-67-1 |
| Catalog Number | AG00C4MQ(AGN-PC-0QYEBQ) |
| Chemical Name | (S)-tert-Butyl 3-(2-amino-3-(tert-butoxy)-3-oxopropyl)-1H-indole-1-carboxylate hydrochloride |
| IUPAC Name | tert-butyl 3-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indole-1-carboxylate;hydrochloride |
| InChI | InChI=1S/C20H28N2O4.ClH/c1-19(2,3)25-17(23)15(21)11-13-12-22(18(24)26-20(4,5)6)16-10-8-7-9-14(13)16;/h7-10,12,15H,11,21H2,1-6H3;1H/t15-;/m0./s1 |
| InChI Key | AVHLJIUNJBOEDW-RSAXXLAASA-N |
| MDL Number | MFCD00798682 |
| Molecular Formula | C20H29ClN2O4 |
| Molecular Weight | 396.9083 |
| SMILES | Cl.N[C@@H](CC1=CN(C2=CC=CC=C12)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C |
| Synonyms | H-TRP(BOC)-OTBU HCL,
218938-67-1,
C20H28N2O4.HCl,
H-Trp(boc)-OtBu hydrochloride,
7248AH,
MFCD00798682,
ACM218938671,
K-6208,
H-Trp(Boc)-OtBu inverted exclamation mark currency HCl,
L-Tryptophan,1-[(1,1-dimethylethoxy)carbonyl]-,1,1-dimethylethyl ester,monohydrochloride(9ci),
H-Trp(Boc)-OtBu . HCl,
|
| Complexity | 521 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 396.182g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 396.912g/mol |
| Monoisotopic Mass | 396.182g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number