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663599-10-8 | 2,5-dioxopyrrolidin-1-yl 4-((3-(dimethylcarbamoyl)pyridin-4-yl)disulfanyl)pentanoate
CAS No: 663599-10-8 Catalog No: AG003G0N MDL No:
Product Description
Catalog Number:
AG003G0N
Chemical Name:
2,5-dioxopyrrolidin-1-yl 4-((3-(dimethylcarbamoyl)pyridin-4-yl)disulfanyl)pentanoate
CAS Number:
663599-10-8
Molecular Formula:
C17H21N3O5S2
Molecular Weight:
411.4957
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 4-[[3-(dimethylcarbamoyl)pyridin-4-yl]disulfanyl]pentanoate
InChI:
InChI=1S/C17H21N3O5S2/c1-11(4-7-16(23)25-20-14(21)5-6-15(20)22)26-27-13-8-9-18-10-12(13)17(24)19(2)3/h8-11H,4-7H2,1-3H3
InChI Key:
AFGUQHOCEUTKEQ-UHFFFAOYSA-N
SMILES:
O=C(ON1C(=O)CCC1=O)CCC(SSc1ccncc1C(=O)N(C)C)C
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.092g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.491g/mol
Monoisotopic Mass:
411.092g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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