YC2

N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-L-glutamic acid


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Chemical Component Summary

NameN-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-L-glutamic acid
Synonyms(S)-2-(3-((S)-1-carboxy-(4-iodobenzamido)pentyl)ureido)pentanedioic acid
Identifiers(2S)-2-[[(2S)-1-hydroxy-6-[(4-iodophenyl)carbonylamino]-1-oxo-hexan-2-yl]carbamoylamino]pentanedioic acid
FormulaC19 H24 I N3 O8
Molecular Weight549.314
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)I
InChIInChI=1S/C19H24IN3O8/c20-12-6-4-11(5-7-12)16(26)21-10-2-1-3-13(17(27)28)22-19(31)23-14(18(29)30)8-9-15(24)25/h4-7,13-14H,1-3,8-10H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t13-,14-/m0/s1
InChIKeyROXRILBFJQYPNZ-KBPBESRZSA-N

Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count2
Bond Count55
Aromatic Bond Count6

Related Resource References

Resource NameReference
Pharos CHEMBL510924
PubChem 24951652
ChEMBL CHEMBL510924