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tert-butyl N-(2-{[(4-{[bis({2-[(tert-butoxycarbonyl)amino]ethyl})amino]methyl}phenyl)methyl]({2-[(tert-butoxycarbonyl)amino]ethyl})amino}ethyl)carbamate

tert-butyl N-(2-{[(4-{[bis({2-[(tert-butoxycarbonyl)amino]ethyl})amino]methyl}phenyl)methyl]({2-[(tert-butoxycarbonyl)amino]ethyl})amino}ethyl)carbamate

CAS: 1807521-06-7

Formula: C36H64N6O8

SMILES: CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)CC1=CC=C(CN(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)C=C1

IUPAC: tert-butyl N-(2-{[(4-{[bis(2-{[(tert-butoxy)carbonyl]amino}ethyl)amino]methyl}phenyl)methyl](2-{[(tert-butoxy)carbonyl]amino}ethyl)amino}ethyl)carbamate

InChI: InChI=1S/C36H64N6O8/c1-33(2,3)47-29(43)37-17-21-41(22-18-38-30(44)48-34(4,5)6)25-27-13-15-28(16-14-27)26-42(23-19-39-31(45)49-35(7,8)9)24-20-40-32(46)50-36(10,11)12/h13-16H,17-26H2,1-12H3,(H,37,43)(H,38,44)(H,39,45)(H,40,46)

Composition: C (60.99%), H (9.10%), N (11.85%), O (18.05%)

Molar Mass: 708.942

Atom Count: 114

Heavy Atom Count: 50

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 708.478563045
Formal Charge 0
FSP3 0.72
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey CUDDHCKPZHRECU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 194.43
Topological Polar Surface Area 159.8
Polarizability 76.27
Ring Count 1
Rotatable Bond Count 24

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Purity (%)
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Ships Within
Days
Packet Size
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1807521-06-7 $330.75-$1,389.15$330.75$926.10$1,389.15
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