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(3S)-4-[4-(tert-butoxy)phenyl]-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

(3S)-4-[4-(tert-butoxy)phenyl]-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

CAS: 219967-69-8

Formula: C29H31NO5

SMILES: CC(C)(C)OC1=CC=C(C[C@@H](CC(O)=O)NC(=O)OCC2C3=CC=CC=C3C3=C2C=CC=C3)C=C1

IUPAC: (3S)-4-[4-(tert-butoxy)phenyl]-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid

InChI: InChI=1S/C29H31NO5/c1-29(2,3)35-21-14-12-19(13-15-21)16-20(17-27(31)32)30-28(33)34-18-26-24-10-6-4-8-22(24)23-9-5-7-11-25(23)26/h4-15,20,26H,16-18H2,1-3H3,(H,30,33)(H,31,32)/t20-/m0/s1

Composition: C (73.55%), H (6.60%), N (2.96%), O (16.89%)

Molar Mass: 473.569

Atom Count: 66

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 473.220223102
Formal Charge 0
FSP3 0.31
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey PAFSELQEYJTCCG-FQEVSTJZSA-N
Lipinski's Rule of Five
Molar Refractivity 134.09
Topological Polar Surface Area 84.86
Polarizability 53.48
Ring Count 4
Rotatable Bond Count 10

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 219967-69-8 $26.91-$121.10$26.91$49.68$121.10
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 219967-69-8 $205.54-$569.97$205.54$569.97
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