CTW/PRD_001140

N-(4-FLUOROBENZOYL)-L-GAMMA-GLUTAMYL-5-{[(S)-{[(1S)-1,3-DICARBOXYPROPYL]AMINO}(HYDROXY)PHOSPHORYL]OXY}-L-NORVALINE

CTW/PRD_001140 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4LQG.

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Chemical Component Summary

NameN-(4-FLUOROBENZOYL)-L-GAMMA-GLUTAMYL-5-{[(S)-{[(1S)-1,3-DICARBOXYPROPYL]AMINO}(HYDROXY)PHOSPHORYL]OXY}-L-NORVALINE
Identifiers(2S)-2-[[[(4S)-4-[[(4S)-4-[(4-fluorophenyl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentoxy]-oxidanyl-phosphoryl]amino]pentanedioic acid
FormulaC22 H29 F N3 O13 P
Molecular Weight593.45
TypePEPTIDE-LIKE
Isomeric SMILESc1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O)F
InChIInChI=1S/C22H29FN3O13P/c23-13-5-3-12(4-6-13)19(30)25-15(21(33)34)7-9-17(27)24-14(20(31)32)2-1-11-39-40(37,38)26-16(22(35)36)8-10-18(28)29/h3-6,14-16H,1-2,7-11H2,(H,24,27)(H,25,30)(H,28,29)(H,31,32)(H,33,34)(H,35,36)(H2,26,37,38)/t14-,15-,16-/m0/s1
InChIKeyRHOKGKWGPOEIFI-JYJNAYRXSA-N
CompositionPolymer Sequences: 1Y6-GGL-6GL-GLU
BIRD classINHIBITOR
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count69
Chiral Atom Count3
Bond Count69
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 86306042
ChEMBL CHEMBL3427434