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(2S)-5-[(E)-N',N''-dimethylcarbamimidamido]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}pentanoic acid

(2S)-5-[(E)-N',N''-dimethylcarbamimidamido]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}pentanoic acid

CAS: 823780-66-1

Formula: C23H28N4O4

SMILES: CNC(NCCC[C@H](NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2)C(O)=O)=N/C

IUPAC: (2S)-5-[(E)-N',N''-dimethylcarbamimidamido]-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanoic acid

InChI: InChI=1S/C23H28N4O4/c1-24-22(25-2)26-13-7-12-20(21(28)29)27-23(30)31-14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,19-20H,7,12-14H2,1-2H3,(H,27,30)(H,28,29)(H2,24,25,26)/t20-/m0/s1

Composition: C (65.08%), H (6.65%), N (13.20%), O (15.08%)

Molar Mass: 424.501

Atom Count: 59

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 424.211055398
Formal Charge 0
FSP3 0.35
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey DQWCPMLQUQTZMJ-FQEVSTJZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 117.26
Topological Polar Surface Area 112.05
Polarizability 46.2
Ring Count 3
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 823780-66-1 $129.88-$3,030.18$129.88$211.85$431.26$1,742.70$3,030.18
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