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

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

CAS: 150047-85-1

Formula: C26H29NO6

SMILES: OC(=O)CC[C@H](NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2)C(=O)OC1CCCCC1

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

InChI: InChI=1S/C26H29NO6/c28-24(29)15-14-23(25(30)33-17-8-2-1-3-9-17)27-26(31)32-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h4-7,10-13,17,22-23H,1-3,8-9,14-16H2,(H,27,31)(H,28,29)/t23-/m0/s1

Composition: C (69.16%), H (6.47%), N (3.10%), O (21.26%)

Molar Mass: 451.519

Atom Count: 62

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 451.199487658
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey FENYYOYPOGIQSG-QHCPKHFHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 121.15
Topological Polar Surface Area 101.93
Polarizability 48.77
Ring Count 4
Rotatable Bond Count 10

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