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3-(ethyldisulfanyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

3-(ethyldisulfanyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

CAS: 1208242-13-0

Formula: C20H21NO4S2

SMILES: CCSSCC(NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(O)=O

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

InChI: InChI=1/C20H21NO4S2/c1-2-26-27-12-18(19(22)23)21-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17-18H,2,11-12H2,1H3,(H,21,24)(H,22,23)

Composition: C (59.53%), H (5.25%), N (3.47%), O (15.86%), S (15.89%)

Molar Mass: 403.51

Atom Count: 48

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 403.091200508
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey GSMBHYPHPKZALE-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 109.81
Topological Polar Surface Area 75.63
Polarizability 43.84
Ring Count 3
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1208242-13-0 $51.35-$712.31$51.35$63.37$86.31$442.46$712.31
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