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

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

CAS: 138021-87-1

Formula: C19H19NO4S

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

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

InChI: InChI=1S/C19H19NO4S/c1-25-11-17(18(21)22)20-19(23)24-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16-17H,10-11H2,1H3,(H,20,23)(H,21,22)/t17-/m0/s1

Composition: C (63.85%), H (5.36%), N (3.92%), O (17.90%), S (8.97%)

Molar Mass: 357.42

Atom Count: 44

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 357.10347927
Formal Charge 0
FSP3 0.26
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey SKNJDZVHMNQAGO-KRWDZBQOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 96.95
Topological Polar Surface Area 75.63
Polarizability 38.9
Ring Count 3
Rotatable Bond Count 7

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