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6-(N',N''-diethylcarbamimidamido)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid hydrochloride

6-(N',N''-diethylcarbamimidamido)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid hydrochloride

Formula: C26H35ClN4O4

SMILES: Cl.CCNC(NCCCCC(NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)C(O)=O)=NCC

IUPAC: 6-(N',N''-diethylcarbamimidamido)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoic acid hydrochloride

InChI: InChI=1/C26H34N4O4.ClH/c1-3-27-25(28-4-2)29-16-10-9-15-23(24(31)32)30-26(33)34-17-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22;/h5-8,11-14,22-23H,3-4,9-10,15-17H2,1-2H3,(H,30,33)(H,31,32)(H2,27,28,29);1H

Composition: C (62.08%), H (7.01%), Cl (7.05%), N (11.14%), O (12.72%)

Molar Mass: 503.04

Atom Count: 70

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 502.2346833
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey LSZCKIIJZGKYEN-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 131.36
Topological Polar Surface Area 112.05
Polarizability 51.73
Ring Count 3
Rotatable Bond Count 12

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