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3-[(9H-fluoren-9-ylmethyl)sulfanyl]-2-{[(prop-2-en-1-yloxy)carbonyl]amino}propanoic acid

3-[(9H-fluoren-9-ylmethyl)sulfanyl]-2-{[(prop-2-en-1-yloxy)carbonyl]amino}propanoic acid

CAS: 182201-77-0

Formula: C21H21NO4S

SMILES: OC(=O)C(CSCC1C2=C(C=CC=C2)C2=C1C=CC=C2)NC(=O)OCC=C

IUPAC: 3-{[(9H-fluoren-9-yl)methyl]sulfanyl}-2-{[(prop-2-en-1-yloxy)carbonyl]amino}propanoic acid

InChI: InChI=1/C21H21NO4S/c1-2-11-26-21(25)22-19(20(23)24)13-27-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h2-10,18-19H,1,11-13H2,(H,22,25)(H,23,24)

Composition: C (65.78%), H (5.52%), N (3.65%), O (16.69%), S (8.36%)

Molar Mass: 383.46

Atom Count: 48

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 383.119129334
Formal Charge 0
FSP3 0.24
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey MUSZBDPVJSUUQY-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 106.17
Topological Polar Surface Area 75.63
Polarizability 42.26
Ring Count 3
Rotatable Bond Count 9

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