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

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

CAS: 478706-50-2

Formula: C29H39NO4

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

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

InChI: InChI=1S/C29H39NO4/c1-2-3-4-5-6-7-8-9-10-11-20-27(28(31)32)30-29(33)34-21-26-24-18-14-12-16-22(24)23-17-13-15-19-25(23)26/h12-19,26-27H,2-11,20-21H2,1H3,(H,30,33)(H,31,32)/t27-/m0/s1

Composition: C (74.81%), H (8.44%), N (3.01%), O (13.74%)

Molar Mass: 465.634

Atom Count: 73

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	465.28790874
Formal Charge	0
FSP3	0.52
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	IVGHFZFNWWDVLX-MHZLTWQESA-N
Lipinski's Rule of Five
Molar Refractivity	135.11
Topological Polar Surface Area	75.63
Polarizability	54.27
Ring Count	3
Rotatable Bond Count	16

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