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(2R)-3-(2-cyanophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

(2R)-3-(2-cyanophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

CAS: 401620-74-4

Formula: C25H20N2O4

SMILES: OC(=O)[C@@H](CC1=CC=CC=C1C#N)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

IUPAC: (2R)-3-(2-cyanophenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

InChI: InChI=1S/C25H20N2O4/c26-14-17-8-2-1-7-16(17)13-23(24(28)29)27-25(30)31-15-22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h1-12,22-23H,13,15H2,(H,27,30)(H,28,29)/t23-/m1/s1

Composition: C (72.80%), H (4.89%), N (6.79%), O (15.52%)

Molar Mass: 412.445

Atom Count: 51

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 412.142307132
Formal Charge 0
FSP3 0.16
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey ACFGBBASKOIPEW-HSZRJFAPSA-N
Lipinski's Rule of Five 1
Molar Refractivity 114.92
Topological Polar Surface Area 99.42
Polarizability 45.42
Ring Count 4
Rotatable Bond Count 7

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