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114459-62-0 | 13-Oxa-2,6,11-triazapentadecanoic acid, 11-(3-aminopropyl)-6-[(1,1-dimethylethoxy)carbonyl]-14,14-dimethyl-12-oxo-, 1,1-dimethylethyl ester
CAS No: 114459-62-0 Catalog No: AG000EF1 MDL No:MFCD08274628
Product Description
Catalog Number:
AG000EF1
Chemical Name:
13-Oxa-2,6,11-triazapentadecanoic acid, 11-(3-aminopropyl)-6-[(1,1-dimethylethoxy)carbonyl]-14,14-dimethyl-12-oxo-, 1,1-dimethylethyl ester
CAS Number:
114459-62-0
Molecular Formula:
C25H50N4O6
Molecular Weight:
502.6877
MDL Number:
MFCD08274628
IUPAC Name:
tert-butyl N-(3-aminopropyl)-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butyl]carbamate
InChI:
InChI=1S/C25H50N4O6/c1-23(2,3)33-20(30)27-15-13-19-29(22(32)35-25(7,8)9)17-11-10-16-28(18-12-14-26)21(31)34-24(4,5)6/h10-19,26H2,1-9H3,(H,27,30)
InChI Key:
XDUPBDDDCRDPGX-UHFFFAOYSA-N
SMILES:
NCCCN(C(=O)OC(C)(C)C)CCCCN(C(=O)OC(C)(C)C)CCCNC(=O)OC(C)(C)C
Properties
Complexity:
650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
502.373g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
502.697g/mol
Monoisotopic Mass:
502.373g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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