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N~2~-{[(1S)-1-carboxybut-3-en-1-yl]carbamoyl}-N~6~-[(4-iodophenyl)carbonyl]-L-lysine


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Chemical Component Summary

NameN~2~-{[(1S)-1-carboxybut-3-en-1-yl]carbamoyl}-N~6~-[(4-iodophenyl)carbonyl]-L-lysine
Identifiers(2S)-2-[[(2S)-1-hydroxy-1-oxo-pent-4-en-2-yl]carbamoylamino]-6-[(4-iodophenyl)carbonylamino]hexanoic acid
FormulaC19 H24 I N3 O6
Molecular Weight517.315
TypeNON-POLYMER
Isomeric SMILESC=CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)I)C(=O)O
InChIInChI=1S/C19H24IN3O6/c1-2-5-14(17(25)26)22-19(29)23-15(18(27)28)6-3-4-11-21-16(24)12-7-9-13(20)10-8-12/h2,7-10,14-15H,1,3-6,11H2,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/m0/s1
InChIKeyCPITYBQMVPBERS-GJZGRUSLSA-N

Chemical Details

Formal Charge0
Atom Count53
Chiral Atom Count2
Bond Count53
Aromatic Bond Count6

Related Resource References

Resource NameReference
Pharos CHEMBL594123
PubChem 44468183
ChEMBL CHEMBL594123