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(2S)-3-{[1,1'-biphenyl]-4-yl}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}propanoic acid

(2S)-3-{[1,1'-biphenyl]-4-yl}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}propanoic acid

CAS: 696615-48-2

Formula: C31H27NO4

SMILES: CN([C@@H](CC1=CC=C(C=C1)C1=CC=CC=C1)C(O)=O)C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

IUPAC: (2S)-3-{[1,1'-biphenyl]-4-yl}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)propanoic acid

InChI: InChI=1S/C31H27NO4/c1-32(29(30(33)34)19-21-15-17-23(18-16-21)22-9-3-2-4-10-22)31(35)36-20-28-26-13-7-5-11-24(26)25-12-6-8-14-27(25)28/h2-18,28-29H,19-20H2,1H3,(H,33,34)/t29-/m0/s1

Composition: C (77.97%), H (5.70%), N (2.93%), O (13.40%)

Molar Mass: 477.56

Atom Count: 63

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 477.194008353
Formal Charge 0
FSP3 0.16
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JBNGYVKVUQEQCI-LJAQVGFWSA-N
Lipinski's Rule of Five
Molar Refractivity 139.23
Topological Polar Surface Area 66.84
Polarizability 56.46
Ring Count 5
Rotatable Bond Count 8

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