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(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(naphthalen-1-yl)butanoic acid

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(naphthalen-1-yl)butanoic acid

CAS: 672964-72-6

Formula: C29H25NO4

SMILES: OC(=O)[C@H](CCC1=C2C=CC=CC2=CC=C1)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

IUPAC: (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-(naphthalen-1-yl)butanoic acid

InChI: InChI=1S/C29H25NO4/c31-28(32)27(17-16-20-10-7-9-19-8-1-2-11-21(19)20)30-29(33)34-18-26-24-14-5-3-12-22(24)23-13-4-6-15-25(23)26/h1-15,26-27H,16-18H2,(H,30,33)(H,31,32)/t27-/m0/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 NPEHLQUETQQEHB-MHZLTWQESA-N
Lipinski's Rule of Five
Molar Refractivity 130.25
Topological Polar Surface Area 75.63
Polarizability 53
Ring Count 5
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 672964-72-6 $292.80-$689.28$292.80$456.96$689.28
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