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(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-(methylsulfanyl)pentanoic acid

(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-(methylsulfanyl)pentanoic acid

CAS: 266359-48-2

Formula: C21H23NO4S

SMILES: CSCC[C@H](CC(O)=O)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

IUPAC: (3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-(methylsulfanyl)pentanoic acid

InChI: InChI=1S/C21H23NO4S/c1-27-11-10-14(12-20(23)24)22-21(25)26-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,14,19H,10-13H2,1H3,(H,22,25)(H,23,24)/t14-/m1/s1

Composition: C (65.43%), H (6.01%), N (3.63%), O (16.60%), S (8.32%)

Molar Mass: 385.48

Atom Count: 50

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 385.134779399
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey XYWOGXWKXWWADY-CQSZACIVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 106.29
Topological Polar Surface Area 75.63
Polarizability 42.58
Ring Count 3
Rotatable Bond Count 9

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