![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
GHC : Summary
Code ![](/pdbe/static/images/help.png)
|
GHC
|
One-letter code ![](/pdbe/static/images/help.png)
|
E
|
Molecule name ![](/pdbe/static/images/help.png)
|
N-({4-[(2-amino-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C20 H20 N4 O6 S2
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
476.526 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C(O)C(NC(=O)c3ccc(Sc1c(sc2N=C(NC(=O)c12)N)CC)cc3)CCC(=O)O |
SMILES
|
CACTVS |
3.341 |
CCc1sc2N=C(N)NC(=O)c2c1Sc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
CCc1c(c2c(s1)N=C(NC2=O)N)Sc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O |
Canonical SMILES
|
CACTVS |
3.341 |
CCc1sc2N=C(N)NC(=O)c2c1Sc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
CCc1c(c2c(s1)N=C(NC2=O)N)Sc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C20H20N4O6S2/c1-2-12-15(14-17(28)23-20(21)24-18(14)32-12)31-10-5-3-9(4-6-10)16(27)22-11(19(29)30)7-8-13(25)26/h3-6,11H,2,7-8H2,1H3,(H,22,27)(H,25,26)(H,29,30)(H3,21,23,24,28)/t11-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | RSFXTHIRRXEJJD-NSHDSACASA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
52 (32 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Amino Acid
|
Type description ![](/pdbe/static/images/help.png)
|
L-peptide linking
|
Type code ![](/pdbe/static/images/help.png)
|
ATOMP
|
Is modified ![](/pdbe/static/images/help.png)
|
Yes
|
Standard parent ![](/pdbe/static/images/help.png)
|
GLU
|
Defined at ![](/pdbe/static/images/help.png)
|
2009-03-04
|
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
|
|