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(2S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-phenylpropanoic acid

(2S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-phenylpropanoic acid

CAS: 1217663-60-9

Formula: C24H21NO4

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

IUPAC: (2S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-phenylpropanoic acid

InChI: InChI=1S/C24H21NO4/c26-23(27)21(16-8-2-1-3-9-16)14-25-24(28)29-15-22-19-12-6-4-10-17(19)18-11-5-7-13-20(18)22/h1-13,21-22H,14-15H2,(H,25,28)(H,26,27)/t21-/m1/s1

Composition: C (74.40%), H (5.46%), N (3.62%), O (16.52%)

Molar Mass: 387.435

Atom Count: 50

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 387.14705816
Formal Charge 0
FSP3 0.17
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey ZPTZPWOHBIHMIJ-OAQYLSRUSA-N
Lipinski's Rule of Five 1
Molar Refractivity 109.45
Topological Polar Surface Area 75.63
Polarizability 43.6
Ring Count 4
Rotatable Bond Count 7

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