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(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(methylsulfanyl)butanoic acid

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(methylsulfanyl)butanoic acid

CAS: 71989-28-1

Formula: C20H21NO4S

SMILES: CSCC[C@H](NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2)C(O)=O

IUPAC: (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-(methylsulfanyl)butanoic acid

InChI: InChI=1S/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/t18-/m0/s1

Composition: C (64.67%), H (5.70%), N (3.77%), O (17.23%), S (8.63%)

Molar Mass: 371.45

Atom Count: 47

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 371.119129334
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey BUBGAUHBELNDEW-SFHVURJKSA-N
Lipinski's Rule of Five 1
Molar Refractivity 101.67
Topological Polar Surface Area 75.63
Polarizability 40.74
Ring Count 3
Rotatable Bond Count 8

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Purity (%)
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Purity LeadTime CAS UnitPrice
98% <14 Days 71989-28-1 Quote Only
Molecule Market Select
Purity LeadTime CAS UnitPrice
98% <14 Days 71989-28-1 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 71989-28-1 $100.98-$408.00$100.98$408.00
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