![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
35A : Summary
Code ![](/pdbe/static/images/help.png)
|
35A
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
N-[(5R,14R)-5-AMINO-5,14-DIMETHYL-4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1~7,11~]DOCOSA-1(21),7(22),8,10,17,19-HEXAEN-19-YL]-N-METHYLMETHANESULFONAMIDE
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C24 H33 N3 O4 S
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
459.602 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=S(=O)(N(c1nc3cc(c1)COC(=O)C(N)(C)Cc2cccc(c2)CCC(CC3)C)C)C |
SMILES
|
CACTVS |
3.341 |
C[CH]1CCc2cccc(C[C](C)(N)C(=O)OCc3cc(CC1)nc(c3)N(C)[S](C)(=O)=O)c2 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC1CCc2cccc(c2)CC(C(=O)OCc3cc(nc(c3)N(C)S(=O)(=O)C)CC1)(C)N |
Canonical SMILES
|
CACTVS |
3.341 |
C[C@@H]1CCc2cccc(C[C@@](C)(N)C(=O)OCc3cc(CC1)nc(c3)N(C)[S](C)(=O)=O)c2 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C[C@@H]1CCc2cccc(c2)C[C@@](C(=O)OCc3cc(nc(c3)[N@](C)S(=O)(=O)C)CC1)(C)N |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C24H33N3O4S/c1-17-8-10-18-6-5-7-19(12-18)15-24(2,25)23(28)31-16-20-13-21(11-9-17)26-22(14-20)27(3)32(4,29)30/h5-7,12-14,17H,8-11,15-16,25H2,1-4H3/t17-,24-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | QWDOKZPZLWNULU-MZNJEOGPSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
65 (32 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Bound ligand
|
Type description ![](/pdbe/static/images/help.png)
|
NON-POLYMER
|
Type code ![](/pdbe/static/images/help.png)
|
HETAIN
|
Is modified ![](/pdbe/static/images/help.png)
|
No
|
Standard parent ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Defined at ![](/pdbe/static/images/help.png)
|
2007-05-25
|
Last modified at ![](/pdbe/static/images/help.png)
|
2011-06-04
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|