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(2S,4S)-4-[(tert-butoxycarbonyl)amino]-1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidine-2-carboxylic acid

(2S,4S)-4-[(tert-butoxycarbonyl)amino]-1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidine-2-carboxylic acid

CAS: 221352-74-5

Formula: C25H28N2O6

SMILES: CC(C)(C)OC(=O)N[C@H]1C[C@H](N(C1)C(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2)C(O)=O

IUPAC: (2S,4S)-4-{[(tert-butoxy)carbonyl]amino}-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidine-2-carboxylic acid

InChI: InChI=1S/C25H28N2O6/c1-25(2,3)33-23(30)26-15-12-21(22(28)29)27(13-15)24(31)32-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20-21H,12-14H2,1-3H3,(H,26,30)(H,28,29)/t15-,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 2
Exact Mass 452.19473663
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey FJEXPICLVWOJSE-BTYIYWSLSA-N
Lipinski's Rule of Five 1
Molar Refractivity 120.11
Topological Polar Surface Area 105.17
Polarizability 48.07
Ring Count 4
Rotatable Bond Count 7

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