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(3R)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid

(3R)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid

CAS: 479064-98-7

Formula: C25H23NO4

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

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

InChI: InChI=1S/C25H23NO4/c1-16-10-12-17(13-11-16)23(14-24(27)28)26-25(29)30-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,26,29)(H,27,28)/t23-/m1/s1

Composition: C (74.80%), H (5.77%), N (3.49%), O (15.94%)

Molar Mass: 401.462

Atom Count: 53

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 401.162708225
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey QVNBKPSESKXKBL-HSZRJFAPSA-N
Lipinski's Rule of Five
Molar Refractivity 114.11
Topological Polar Surface Area 75.63
Polarizability 45.36
Ring Count 4
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
99% <5 Days 479064-98-7 $114.75-$1,569.95$114.75$195.46$351.82$1,569.95
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