| CAS Number | 141408-33-5 |
| Catalog Number | AG007ZEK(AGN-PC-0O26RR) |
| Chemical Name | (S)-2-((Tert-Butoxycarbonyl)(Methyl)Amino)-3-(1H-Indol-3-Yl)Propanoic Acid |
| IUPAC Name | (2S)-3-(1H-indol-3-yl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid |
| InChI | InChI=1S/C17H22N2O4/c1-17(2,3)23-16(22)19(4)14(15(20)21)9-11-10-18-13-8-6-5-7-12(11)13/h5-8,10,14,18H,9H2,1-4H3,(H,20,21)/t14-/m0/s1 |
| InChI Key | XLQCIKDAEIMMEU-AWEZNQCLSA-N |
| MDL Number | MFCD02682368 |
| Molecular Formula | C17H22N2O4 |
| Molecular Weight | 318.3676 |
| SMILES | C(C)(C)(C)OC(=O)N([C@H](C(=O)O)CC1=CNC2=CC=CC=C12)C |
| Synonyms | Boc-Nalpha-methyl-L-tryptophan,
141408-33-5,
Boc-N-alpha-methyl-L-tryptophan,
L-Tryptophan, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-,
SCHEMBL3478448,
CTK0B7009,
ZINC2583095,
4215AD,
AKOS015836712,
(2S)-2-[(tert-butoxycarbonyl)(methyl)amino]-3-(1H-indol-3-yl)propanoic acid,
C17H22N2O4,
CID10471134,
(2S)-3-(1H-indol-3-yl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic Acid,
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| Complexity | 446 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.373g/mol |
| Monoisotopic Mass | 318.158g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 82.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number