| CAS Number | 1016276-93-9 |
| Catalog Number | AG01EKZG |
| Chemical Name | (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-cyclohexylbutanoic acid |
| IUPAC Name | (3S)-4-cyclohexyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid |
| InChI | InChI=1S/C25H29NO4/c27-24(28)15-18(14-17-8-2-1-3-9-17)26-25(29)30-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h4-7,10-13,17-18,23H,1-3,8-9,14-16H2,(H,26,29)(H,27,28)/t18-/m0/s1 |
| InChI Key | RXBITLXZMVCYKD-SFHVURJKSA-N |
| MDL Number | MFCD08276242 |
| Molecular Formula | C25H29NO4 |
| Molecular Weight | 407.5021 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@H](CC(=O)O)CC1CCCCC1 |
| Synonyms | AC1OGVPJ,
CTK7I5257,
(3S)-4-cyclohexyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid,
(3S)-4-cyclohexyl-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid,
(S)-4-CYCLOHEXYL-3-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-BUTYRIC ACID,
1016276-93-9,
CID7176368,
(3R)-4-cyclohexyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic Acid,
|
| Complexity | 566 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 407.51g/mol |
| Monoisotopic Mass | 407.21g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number