| CAS Number | 1315449-98-9 |
| Catalog Number | AG000ZDN(AGN-PC-0WCXW4) |
| Chemical Name | L-Tryptophan, 1-[(1,1-dimethylethoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-α-methyl- |
| IUPAC Name | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid |
| InChI | InChI=1S/C32H32N2O6/c1-31(2,3)40-30(38)34-18-20(21-11-9-10-16-27(21)34)17-32(4,28(35)36)33-29(37)39-19-26-24-14-7-5-12-22(24)23-13-6-8-15-25(23)26/h5-16,18,26H,17,19H2,1-4H3,(H,33,37)(H,35,36)/t32-/m0/s1 |
| InChI Key | MXKJLYRFMUOEPT-YTTGMZPUSA-N |
| MDL Number | MFCD16652328 |
| Molecular Formula | C32H32N2O6 |
| Molecular Weight | 540.6063 |
| SMILES | O=C(O)[C@@](C)(NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CN(C(OC(C)(C)C)=O)C5=C4C=CC=C5 |
| Synonyms | 1315449-98-9,
Fmoc-|A-Me-Trp(Boc)-OH,
AK175382,
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(1-(tert-butoxycarbonyl)-1H-indol-3-yl)-2-methylpropanoic acid,
MFCD16652328,
ZINC70051641,
AKOS025405190,
(S)-Fmoc-alpha-Methyl-N'-boc-tryptophan,
L-Tryptophan, 1-[(1,1-dimethylethoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-alpha-methyl-,
(S)-N-Fmoc-(N-Boc)-alpha-methyltryptophan,
2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(1-(tert-butoxycarbonyl)-1H-indol-3-yl)-2-methylpropanoic acid,
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| Complexity | 926 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 540.226g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 540.616g/mol |
| Monoisotopic Mass | 540.226g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number