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

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

CAS: 917099-04-8

Formula: C25H23NO5

SMILES: COC1=CC(C[C@@H](NC(=O)OCC2C3=CC=CC=C3C3=CC=CC=C23)C(O)=O)=CC=C1

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

InChI: InChI=1S/C25H23NO5/c1-30-17-8-6-7-16(13-17)14-23(24(27)28)26-25(29)31-15-22-20-11-4-2-9-18(20)19-10-3-5-12-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,26,29)(H,27,28)/t23-/m1/s1

Composition: C (71.93%), H (5.55%), N (3.36%), O (19.16%)

Molar Mass: 417.461

Atom Count: 54

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 417.157622845
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey IKKQVAWYVGALAQ-HSZRJFAPSA-N
Lipinski's Rule of Five 1
Molar Refractivity 115.66
Topological Polar Surface Area 84.86
Polarizability 46.11
Ring Count 4
Rotatable Bond Count 8

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Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 917099-04-8 $150.72-$697.92$150.72$225.60$697.92
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