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(3R,4S)-1-[(tert-butoxy)carbonyl]-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}pyrrolidine-3-carboxylic acid - 97%, high purity , CAS No.267230-44-4
Basic Description
Synonyms
267230-44-4 | (3R,4S)-4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid | CID 10026865 | (3R,4S)-1-Boc-4-Fmoc-amino-3-pyrrolidinecarboxylic acid | (3R,4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Fluorenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Fluorenes
Alternative Parents
Pyrrolidine carboxylic acids Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Fluorene - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Carbamic acid ester - Pyrrolidine - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
(3R,4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
INCHI
InChI=1S/C25H28N2O6/c1-25(2,3)33-24(31)27-12-19(22(28)29)21(13-27)26-23(30)32-14-20-17-10-6-4-8-15(17)16-9-5-7-11-18(16)20/h4-11,19-21H,12-14H2,1-3H3,(H,26,30)(H,28,29)/t19-,21-/m1/s1
InChIKey
MDJLYIHNKUJSBA-TZIWHRDSSA-N
Smiles
CC(C)(C)OC(=O)N1CC(C(C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
Isomeric SMILES
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
PubChem CID
10026865
Molecular Weight
452.507
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
452.500 g/mol
XLogP3
3.900
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
7
Exact Mass
452.195 Da
Monoisotopic Mass
452.195 Da
Topological Polar Surface Area
105.000 Ų
Heavy Atom Count
33
Formal Charge
0
Complexity
728.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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