QEG/PRD_001060

N~2~-{3-[4-(4-PHENYLTHIOPHEN-2-YL)PHENYL]PROPANOYL}-L-GLUTAMINYL-L-ALPHA-GLUTAMINE

QEG/PRD_001060 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3TSK.

Find entries where PRD_001060 is present


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Chemical Component Summary

NameN~2~-{3-[4-(4-PHENYLTHIOPHEN-2-YL)PHENYL]PROPANOYL}-L-GLUTAMINYL-L-ALPHA-GLUTAMINE
Identifiers(4S)-5-azanyl-4-[[(2S)-5-azanyl-5-oxidanylidene-2-[3-[4-(4-phenylthiophen-2-yl)phenyl]propanoylamino]pentanoyl]amino]-5-oxidanylidene-pentanoic acid
FormulaC29 H32 N4 O6 S
Molecular Weight564.653
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N
InChIInChI=1S/C29H32N4O6S/c30-25(34)13-11-23(29(39)33-22(28(31)38)12-15-27(36)37)32-26(35)14-8-18-6-9-20(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,(H2,30,34)(H2,31,38)(H,32,35)(H,33,39)(H,36,37)/t22-,23-/m0/s1
InChIKeyKGPPRBTYRFIDAL-GOTSBHOMSA-N
CompositionPolymer Sequences: 03J-GLN-GLU-NH2
BIRD classINHIBITOR
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count72
Chiral Atom Count2
Bond Count74
Aromatic Bond Count17

Related Resource References

Resource NameReference
Pharos CHEMBL3675596
PubChem 50991592
ChEMBL CHEMBL3675596