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(3S,4S)-5-cyclohexyl-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-hydroxypentanoic acid

(3S,4S)-5-cyclohexyl-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-hydroxypentanoic acid

CAS: 130597-31-8

Formula: C26H31NO5

SMILES: O[C@@H](CC(O)=O)[C@H](CC1CCCCC1)NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

IUPAC: (3S,4S)-5-cyclohexyl-4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-hydroxypentanoic acid

InChI: InChI=1S/C26H31NO5/c28-24(15-25(29)30)23(14-17-8-2-1-3-9-17)27-26(31)32-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h4-7,10-13,17,22-24,28H,1-3,8-9,14-16H2,(H,27,31)(H,29,30)/t23-,24-/m0/s1

Composition: C (71.37%), H (7.14%), N (3.20%), O (18.28%)

Molar Mass: 437.536

Atom Count: 63

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 437.220223102
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey NTQQMWZNOTYXHU-ZEQRLZLVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 120.84
Topological Polar Surface Area 95.86
Polarizability 48.62
Ring Count 4
Rotatable Bond Count 9

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