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119637-70-6 | 3-Octenamide, N,N'-[dithiobis[(1-oxo-2,1-ethanediyl)imino-2,1-ethanediyl]]bis- (9CI)
CAS No: 119637-70-6 Catalog No: AG000PE8 MDL No:
Product Description
Catalog Number:
AG000PE8
Chemical Name:
3-Octenamide, N,N'-[dithiobis[(1-oxo-2,1-ethanediyl)imino-2,1-ethanediyl]]bis- (9CI)
CAS Number:
119637-70-6
Molecular Formula:
C24H42N4O4S2
Molecular Weight:
514.7447
IUPAC Name:
N-[4-amino-3-[1-amino-4-(oct-3-enoylamino)-1-oxobutan-2-yl]sulfanyl-4-oxobutyl]oct-3-enamide
InChI:
InChI=1S/C24H42N4O4S/c1-3-5-7-9-11-13-21(29)27-17-15-19(23(25)31)33-20(24(26)32)16-18-28-22(30)14-12-10-8-6-4-2/h9-12,19-20H,3-8,13-18H2,1-2H3,(H2,25,31)(H2,26,32)(H,27,29)(H,28,30)
InChI Key:
HDVQPKOUWPOSDP-UHFFFAOYSA-N
SMILES:
CCCCC=CCC(=O)NCCNC(=O)CSSCC(=O)NCCNC(=O)CC=CCCCC
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
482.293g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
482.684g/mol
Monoisotopic Mass:
482.293g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
170A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
2
XLogP3:
3.2
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