| CAS Number | 1197020-22-6 |
| Catalog Number | AG000PH9(AGN-PC-0WALG7) |
| Chemical Name | Heptanoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2S)- |
| IUPAC Name | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoic acid |
| InChI | InChI=1S/C22H25NO4/c1-2-3-4-13-20(21(24)25)23-22(26)27-14-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19-20H,2-4,13-14H2,1H3,(H,23,26)(H,24,25)/t20-/m0/s1 |
| InChI Key | DSEDZIUESKRBOW-FQEVSTJZSA-N |
| MDL Number | MFCD00900034 |
| Molecular Formula | C22H25NO4 |
| Molecular Weight | 367.4382 |
| SMILES | CCCCC[C@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)C(O)=O |
| Synonyms | 1197020-22-6,
(S)-2-(Fmoc-amino)heptanoic acid,
Fmoc-Ahp(2)-OH,
(s)-2-[(9-fluorenylmethoxycarbonyl)amino]heptanoic acid,
SCHEMBL14497949,
ZINC2583308,
AS-72205,
(S)-2-[[(9H-Fluoren-9-yl)methoxycarbonyl]amino]heptanoic acid,
(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)heptanoic acid,
Heptanoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2S)-,
|
| Complexity | 487 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 367.178358g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 367.4g/mol |
| Monoisotopic Mass | 367.178358g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 75.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number