EEG/PRD_001058
N-{3-[4-(4-PHENYLTHIOPHEN-2-YL)PHENYL]PROPANOYL}-L-ALPHA-GLUTAMYL-L-ALPHA-GLUTAMYL-AMIDE
EEG/PRD_001058 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).
The representative PDB ID is 3LIK.
Find entries where PRD_001058 is present
Chemical Component Summary | |
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Name | N-{3-[4-(4-PHENYLTHIOPHEN-2-YL)PHENYL]PROPANOYL}-L-ALPHA-GLUTAMYL-L-ALPHA-GLUTAMYL-AMIDE |
Identifiers | (4S)-5-azanyl-4-[[(2S)-5-hydroxy-5-oxo-2-[3-[4-(4-phenylthiophen-2-yl)phenyl]propanoylamino]pentanoyl]amino]-5-oxo-pentanoic acid |
Formula | C29 H31 N3 O7 S |
Molecular Weight | 565.637 |
Type | NON-POLYMER |
Isomeric SMILES | c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N |
InChI | InChI=1S/C29H31N3O7S/c30-28(38)22(11-14-26(34)35)32-29(39)23(12-15-27(36)37)31-25(33)13-8-18-6-9-20(10-7-18)24-16-21(17-40-24)19-4-2-1-3-5-19/h1-7,9-10,16-17,22-23H,8,11-15H2,(H2,30,38)(H,31,33)(H,32,39)(H,34,35)(H,36,37)/t22-,23-/m0/s1 |
InChIKey | MMIHYNVQXYWTFM-GOTSBHOMSA-N |
Composition | Polymer Sequences: 03J-GLU-GLU-NH2 |
BIRD class | INHIBITOR |
Represented As | SINGLE MOLECULE |
Compound Details | n/a |
Description | n/a |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 71 |
Chiral Atom Count | 2 |
Bond Count | 73 |
Aromatic Bond Count | 19 |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL1232492 |
PubChem | 46861563 |
ChEMBL | CHEMBL1232492 |