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(4S,5R)-3-[(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid

(4S,5R)-3-[(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid

CAS: 252554-79-3

Formula: C25H28N2O6

SMILES: C[C@H](NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2)C(=O)N1[C@@H]([C@@H](C)OC1(C)C)C(O)=O

IUPAC: (4S,5R)-3-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid

InChI: InChI=1S/C25H28N2O6/c1-14(22(28)27-21(23(29)30)15(2)33-25(27,3)4)26-24(31)32-13-20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-12,14-15,20-21H,13H2,1-4H3,(H,26,31)(H,29,30)/t14-,15+,21-/m0/s1

Composition: C (66.36%), H (6.24%), N (6.19%), O (21.21%)

Molar Mass: 452.507

Atom Count: 61

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 3
Exact Mass 452.19473663
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey GBTYMCWKCJUKDT-ZSDSOXJFSA-N
Lipinski's Rule of Five 1
Molar Refractivity 120.19
Topological Polar Surface Area 105.17
Polarizability 48.07
Ring Count 4
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 252554-79-3 $21.44-$233.29$21.44$51.70$233.29
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