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(3S)-3-(3-chlorophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

(3S)-3-(3-chlorophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

CAS: 507472-16-4

Formula: C24H20ClNO4

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

IUPAC: (3S)-3-(3-chlorophenyl)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

InChI: InChI=1S/C24H20ClNO4/c25-16-7-5-6-15(12-16)22(13-23(27)28)26-24(29)30-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1

Composition: C (68.33%), H (4.78%), Cl (8.40%), N (3.32%), O (15.17%)

Molar Mass: 421.88

Atom Count: 50

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 421.1080858
Formal Charge 0
FSP3 0.17
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey UTITXXQGMMKCQD-QFIPXVFZSA-N
Lipinski's Rule of Five
Molar Refractivity 113.87
Topological Polar Surface Area 75.63
Polarizability 45.45
Ring Count 4
Rotatable Bond Count 7

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98% <7 Days 507472-16-4 $47.61-$194.58$47.61$80.73$194.58
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98% <5 Days 507472-16-4 $107.19-$276.16$107.19$146.28$276.16
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