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(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid

(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid

CAS: 145038-52-4

Formula: C20H19NO6

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

IUPAC: (3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-methoxy-4-oxobutanoic acid

InChI: InChI=1S/C20H19NO6/c1-26-19(24)17(10-18(22)23)21-20(25)27-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16-17H,10-11H2,1H3,(H,21,25)(H,22,23)/t17-/m0/s1

Composition: C (65.03%), H (5.19%), N (3.79%), O (25.99%)

Molar Mass: 369.373

Atom Count: 46

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 369.121237336
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey UEUZUMRMWJUEMK-KRWDZBQOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 95.38
Topological Polar Surface Area 101.93
Polarizability 38.46
Ring Count 3
Rotatable Bond Count 8

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