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3-[(3-{2-[2-(3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propoxy)ethoxy]ethoxy}propyl)carbamoyl]propanoic acid

3-[(3-{2-[2-(3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propoxy)ethoxy]ethoxy}propyl)carbamoyl]propanoic acid

CAS: 172089-14-4

Formula: C29H38N2O8

SMILES: OC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2

IUPAC: 3-{[3-(2-{2-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propoxy]ethoxy}ethoxy)propyl]carbamoyl}propanoic acid

InChI: InChI=1S/C29H38N2O8/c32-27(11-12-28(33)34)30-13-5-15-36-17-19-38-20-18-37-16-6-14-31-29(35)39-21-26-24-9-3-1-7-22(24)23-8-2-4-10-25(23)26/h1-4,7-10,26H,5-6,11-21H2,(H,30,32)(H,31,35)(H,33,34)

Composition: C (64.19%), H (7.06%), N (5.16%), O (23.59%)

Molar Mass: 542.629

Atom Count: 77

Heavy Atom Count: 39

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 542.262816192
Formal Charge 0
FSP3 0.48
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 3
InChIKey VWGYNWSOHMVYGG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 145.15
Topological Polar Surface Area 132.42
Polarizability 57.56
Ring Count 3
Rotatable Bond Count 20

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Glentham Life Sciences
Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 172089-14-4 $181.56-$669.12$181.56$669.12
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Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 172089-14-4 $75.84-$451.20$75.84$113.28$451.20
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