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Home > Indoles and Oxindole > 32164-16-2
32164-16-2 | [10b,10'b(11H,11'H)-Bi-3,11a-epidithio-11aH-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole]-1,1',4,4'-tetrone,2,2',3,3',5a,5'a,6,6'-octahydro-11,11'-dihydroxy-2,2',3,3'-tetramethyl-,(3R,3'S,5aS,5'aR,10bR,10'bS,11R,11'S,11aR,11'aS)-
CAS No: 32164-16-2 Catalog No: AG00VQYX MDL No:
Product Description
Catalog Number:
AG00VQYX
Chemical Name:
[10b,10'b(11H,11'H)-Bi-3,11a-epidithio-11aH-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole]-1,1',4,4'-tetrone,2,2',3,3',5a,5'a,6,6'-octahydro-11,11'-dihydroxy-2,2',3,3'-tetramethyl-,(3R,3'S,5aS,5'aR,10bR,10'bS,11R,11'S,11aR,11'aS)-
CAS Number:
32164-16-2
Molecular Formula:
C30H28N6O6S4
Molecular Weight:
696.8399
IUPAC Name:
2-hydroxy-3-(2-hydroxy-14,18-dimethyl-13,17-dioxo-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-trien-3-yl)-14,18-dimethyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione
InChI:
InChI=1S/C30H28N6O6S4/c1-25-21(39)35-19-27(13-9-5-7-11-15(13)31-19,17(37)29(35,45-43-25)23(41)33(25)3)28-14-10-6-8-12-16(14)32-20(28)36-22(40)26(2)34(4)24(42)30(36,18(28)38)46-44-26/h5-12,17-20,31-32,37-38H,1-4H3
InChI Key:
IMGTYEJTVRXGLW-UHFFFAOYSA-N
SMILES:
O=C1N(C)[C@@]2(C)SS[C@@]31N(C2=O)[C@@H]1C([C@@H]3O)(c2c(N1)cccc2)[C@]12c3ccccc3N[C@@H]1N1[C@@]3([C@H]2O)SS[C@@](C1=O)(N(C3=O)C)C
Properties
Complexity:
1430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
696.095g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
696.83g/mol
Monoisotopic Mass:
696.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
247A^2
Undefined Atom Stereocenter Count:
10
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Verticillin A overcomes apoptosis resistance in human colon carcinoma through DNA methylation-dependent upregulation of BNIP3. | Cancer research 20111101 |
| Biogenetically inspired syntheses of alkaloid natural products. | Chemical Society reviews 20091101 |
| Nematicidal epipolysulfanyldioxopiperazines from Gliocladium roseum. | Journal of natural products 20051001 |
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