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(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-2-OXO-ETHYLAMINO)-ACETIC ACID


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Chemical Component Summary

Name(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-2-OXO-ETHYLAMINO)-ACETIC ACID
Identifiers2-[[(2R)-1-[2-[(5-carbamimidoyl-1-methyl-pyrrol-3-yl)methylcarbamoyl]pyrrol-1-yl]-3-cyclohexyl-1-oxo-propan-2-yl]amino]ethanoic acid
FormulaC23 H32 N6 O4
Molecular Weight456.538
TypePEPTIDE-LIKE
Isomeric SMILESCn1cc(cc1C(=N)N)CNC(=O)c2cccn2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O
InChIInChI=1S/C23H32N6O4/c1-28-14-16(11-19(28)21(24)25)12-27-22(32)18-8-5-9-29(18)23(33)17(26-13-20(30)31)10-15-6-3-2-4-7-15/h5,8-9,11,14-15,17,26H,2-4,6-7,10,12-13H2,1H3,(H3,24,25)(H,27,32)(H,30,31)/t17-/m1/s1
InChIKeyNWTFRWIXCVUIDS-QGZVFWFLSA-N

Chemical Details

Formal Charge0
Atom Count65
Chiral Atom Count1
Bond Count67
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 5287430