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115627-24-2 | Dodecanamide, N-[2-hydroxy-1-[[(10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl)amino]carbonyl]propyl]-
CAS No: 115627-24-2 Catalog No: AG000GA9 MDL No:
Product Description
Catalog Number:
AG000GA9
Chemical Name:
Dodecanamide, N-[2-hydroxy-1-[[(10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl)amino]carbonyl]propyl]-
CAS Number:
115627-24-2
Molecular Formula:
C27H48N4O6
Molecular Weight:
524.6932
IUPAC Name:
N-[3-hydroxy-1-[(10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl)amino]-1-oxobutan-2-yl]dodecanamide
InChI:
InChI=1S/C27H48N4O6/c1-4-5-6-7-8-9-10-11-12-13-24(35)31-25(20(3)32)27(37)30-22-18-21(33)16-17-28-23(34)15-14-19(2)29-26(22)36/h14-15,19-22,25,32-33H,4-13,16-18H2,1-3H3,(H,28,34)(H,29,36)(H,30,37)(H,31,35)
InChI Key:
LTJTUABPPHTTPQ-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)NC1CC(O)CCNC(=O)C=CC(NC1=O)C)NC(=O)CCCCCCCCCCC)O
Properties
Complexity:
744
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
524.357g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
524.703g/mol
Monoisotopic Mass:
524.357g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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