tert-butyl N-[({3-[2-(2-{3-[({bicyclo[6.1.0]non-4-yn-9-ylmethoxy}carbonyl)amino]propoxy}ethoxy)ethoxy]propyl}carbamoyl)methyl]carbamate

tert-butyl N-[({3-[2-(2-{3-[({bicyclo[6.1.0]non-4-yn-9-ylmethoxy}carbonyl)amino]propoxy}ethoxy)ethoxy]propyl}carbamoyl)methyl]carbamate

CAS: 2110444-63-6

Formula: C28H47N3O8

SMILES: CC(C)(C)OC(=O)NCC(=O)NCCCOCCOCCOCCCNC(=O)OCC1C2CCC#CCCC12

IUPAC: tert-butyl N-{[(3-{2-[2-(3-{[({bicyclo[6.1.0]non-4-yn-9-yl}methoxy)carbonyl]amino}propoxy)ethoxy]ethoxy}propyl)carbamoyl]methyl}carbamate

InChI: InChI=1/C28H47N3O8/c1-28(2,3)39-27(34)31-20-25(32)29-12-8-14-35-16-18-37-19-17-36-15-9-13-30-26(33)38-21-24-22-10-6-4-5-7-11-23(22)24/h22-24H,6-21H2,1-3H3,(H,29,32)(H,30,33)(H,31,34)

Composition: C (60.74%), H (8.56%), N (7.59%), O (23.12%)

Molar Mass: 553.697

Atom Count: 86

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	553.336315485
Formal Charge	0
FSP3	0.82
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	SPXNLNQWLORDDS-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	146.48
Topological Polar Surface Area	133.45
Polarizability	56.94
Ring Count	2
Rotatable Bond Count	21

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95%	<2 Days	2110444-63-6		$330.75-$1,228.50$330.75$614.25$1,228.50