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1427004-19-0 | 2,5-Dioxo-1-pyrrolidinyl 20-(11,12-didehydrodibenz[b,f]azocin-5(6H)-yl)-17,20-dioxo-4,7,10,13-tetraoxa-16-azaeicosanoate
CAS No: 1427004-19-0 Catalog No: AG003ANK MDL No:
Product Description
Catalog Number:
AG003ANK
Chemical Name:
2,5-Dioxo-1-pyrrolidinyl 20-(11,12-didehydrodibenz[b,f]azocin-5(6H)-yl)-17,20-dioxo-4,7,10,13-tetraoxa-16-azaeicosanoate
CAS Number:
1427004-19-0
Molecular Formula:
C34H39N3O10
Molecular Weight:
649.6876
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
InChI:
InChI=1S/C34H39N3O10/c38-30(11-12-31(39)36-25-28-7-2-1-5-26(28)9-10-27-6-3-4-8-29(27)36)35-16-18-44-20-22-46-24-23-45-21-19-43-17-15-34(42)47-37-32(40)13-14-33(37)41/h1-8H,11-25H2,(H,35,38)
InChI Key:
RRCXYKNJTKJNTD-UHFFFAOYSA-N
SMILES:
O=C(CCC(=O)N1Cc2ccccc2C#Cc2c1cccc2)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
Properties
Complexity:
1120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
649.264g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
649.697g/mol
Monoisotopic Mass:
649.264g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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