| CAS Number | 148983-03-3 |
| Catalog Number | AG001LB9(AGN-PC-0WANIC) |
| Chemical Name | Cyclohexanepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]methylamino]-, (αS)- |
| IUPAC Name | (2S)-3-cyclohexyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid |
| InChI | InChI=1S/C25H29NO4/c1-26(23(24(27)28)15-17-9-3-2-4-10-17)25(29)30-16-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h5-8,11-14,17,22-23H,2-4,9-10,15-16H2,1H3,(H,27,28)/t23-/m0/s1 |
| InChI Key | SZQWVTJZNYDCRV-QHCPKHFHSA-N |
| MDL Number | MFCD00156555 |
| Molecular Formula | C25H29NO4 |
| Molecular Weight | 407.5021 |
| SMILES | O=C(O)[C@@H](N(C(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)C)CC4CCCCC4 |
| Synonyms | (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-cyclohexylpropanoic acid,
148983-03-3,
AK165582,
Fmoc-N-Me-Cha-OH,
Fmoc-N-Me-L-Cha-OH,
(2S)-3-cyclohexyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid,
CS-B1665,
MFCD00156555,
ZINC38838435,
AKOS025286146,
DS-9028,
(S)-N-Fmoc-N-methyl-3-cyclohexylalanine,
(2S)-3-cyclohexyl-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]-methylamino]propanoic acid,
(2S)-3-cyclohexyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propionic acid,
CID10431529,
(2S)-3-cyclohexyl-2-(9H-fluoren-9-ylmethoxycarbonyl-methyl-amino)propanoic Acid,
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| Complexity | 580 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 407.21g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 407.51g/mol |
| Monoisotopic Mass | 407.21g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6 |
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