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(3R)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(naphthalen-2-yl)butanoic acid

(3R)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(naphthalen-2-yl)butanoic acid

CAS: 269398-91-6

Formula: C29H25NO4

SMILES: OC(=O)C[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

IUPAC: (3R)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-(naphthalen-2-yl)butanoic acid

InChI: InChI=1S/C29H25NO4/c31-28(32)17-22(16-19-13-14-20-7-1-2-8-21(20)15-19)30-29(33)34-18-27-25-11-5-3-9-23(25)24-10-4-6-12-26(24)27/h1-15,22,27H,16-18H2,(H,30,33)(H,31,32)/t22-/m1/s1

Composition: C (77.14%), H (5.58%), N (3.10%), O (14.17%)

Molar Mass: 451.522

Atom Count: 59

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 451.178358289
Formal Charge 0
FSP3 0.17
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey LQGDRWACMZMSCD-JOCHJYFZSA-N
Lipinski's Rule of Five
Molar Refractivity 130.27
Topological Polar Surface Area 75.63
Polarizability 53
Ring Count 5
Rotatable Bond Count 8

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