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(4S)-5-(benzyloxy)-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-oxopentanoic acid

(4S)-5-(benzyloxy)-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-oxopentanoic acid

CAS: 122350-52-1

Formula: C27H25NO6

SMILES: OC(=O)CC[C@H](NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2)C(=O)OCC1=CC=CC=C1

IUPAC: (4S)-5-(benzyloxy)-4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-oxopentanoic acid

InChI: InChI=1S/C27H25NO6/c29-25(30)15-14-24(26(31)33-16-18-8-2-1-3-9-18)28-27(32)34-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2,(H,28,32)(H,29,30)/t24-/m0/s1

Composition: C (70.58%), H (5.48%), N (3.05%), O (20.89%)

Molar Mass: 459.498

Atom Count: 59

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 459.168187529
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey FMWLYDDRYGOYMY-DEOSSOPVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 124.75
Topological Polar Surface Area 101.93
Polarizability 49.87
Ring Count 4
Rotatable Bond Count 11

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