Chemical Component Summary

NameN-{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
FormulaC29 H31 N3 O7 S
Molecular Weight565.637
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N
InChIInChI=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
InChIKeyMMIHYNVQXYWTFM-GOTSBHOMSA-N
CompositionPolymer Sequences: 03J-GLU-GLU-NH2
BIRD classINHIBITOR
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count71
Chiral Atom Count2
Bond Count73
Aromatic Bond Count19

Related Resource References

Resource NameReference
Pharos CHEMBL1232492
PubChem 46861563
ChEMBL CHEMBL1232492