2,6-di{[(benzyloxy)carbonyl]amino}hexanoic acid

2,6-di{[(benzyloxy)carbonyl]amino}hexanoic acid

CAS: 405-39-0

Formula: C22H26N2O6

SMILES: OC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1

IUPAC: 2,6-di{[(benzyloxy)carbonyl]amino}hexanoic acid

InChI: InChI=1/C22H26N2O6/c25-20(26)19(24-22(28)30-16-18-11-5-2-6-12-18)13-7-8-14-23-21(27)29-15-17-9-3-1-4-10-17/h1-6,9-12,19H,7-8,13-16H2,(H,23,27)(H,24,28)(H,25,26)

Composition: C (63.76%), H (6.32%), N (6.76%), O (23.16%)

Molar Mass: 414.458

Atom Count: 56

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	414.179086565
Formal Charge	0
FSP3	0.32
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	BLZXFNUZFTZCFD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.17
Topological Polar Surface Area	113.96
Polarizability	42.68
Ring Count	2
Rotatable Bond Count	13

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