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(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-{[(4-methylphenyl)methyl]sulfanyl}propanoic acid

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-{[(4-methylphenyl)methyl]sulfanyl}propanoic acid

CAS: 200354-41-2

Formula: C26H25NO4S

SMILES: CC1=CC=C(CSC[C@@H](NC(=O)OCC2C3=CC=CC=C3C3=C2C=CC=C3)C(O)=O)C=C1

IUPAC: (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-{[(4-methylphenyl)methyl]sulfanyl}propanoic acid

InChI: InChI=1S/C26H25NO4S/c1-17-10-12-18(13-11-17)15-32-16-24(25(28)29)27-26(30)31-14-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-13,23-24H,14-16H2,1H3,(H,27,30)(H,28,29)/t24-/m1/s1

Composition: C (69.78%), H (5.63%), N (3.13%), O (14.30%), S (7.16%)

Molar Mass: 447.55

Atom Count: 57

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 447.150429463
Formal Charge 0
FSP3 0.23
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey OQYBTXFHTQYWCZ-XMMPIXPASA-N
Lipinski's Rule of Five
Molar Refractivity 126.66
Topological Polar Surface Area 75.63
Polarizability 50.27
Ring Count 4
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 200354-41-2 $23.81-$929.43$23.81$32.09$57.96$110.75$235.98$446.09$797.99$929.43
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AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 200354-41-2 $142.60-$571.55$142.60$311.65$571.55
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