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(2S)-3-(6-bromonaphthalen-2-yl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

(2S)-3-(6-bromonaphthalen-2-yl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

CAS: 2682097-53-4

Formula: C28H22BrNO4

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

IUPAC: (2S)-3-(6-bromonaphthalen-2-yl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

InChI: InChI=1S/C28H22BrNO4/c29-20-12-11-18-13-17(9-10-19(18)15-20)14-26(27(31)32)30-28(33)34-16-25-23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-13,15,25-26H,14,16H2,(H,30,33)(H,31,32)/t26-/m0/s1

Composition: C (65.13%), H (4.29%), Br (15.47%), N (2.71%), O (12.39%)

Molar Mass: 516.391

Atom Count: 56

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 515.073221
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey FRBVNTWJRAQKQX-SANMLTNESA-N
Lipinski's Rule of Five
Molar Refractivity 133.27
Topological Polar Surface Area 75.63
Polarizability 53.74
Ring Count 5
Rotatable Bond Count 7

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