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CHEBI:39607 - (2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-2-OXO-ETHYLAMINO)-ACETIC ACID

Default Structure
ChEBI IDCHEBI:39607
ChEBI Name(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-2-OXO-ETHYLAMINO)-ACETIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC23H32N6O4
Net Charge0
Average Mass456.547
Monoisotopic Mass456.24850
SMILES[H]/N=C(/c1c([H])c(C([H])([H])N([H])C(=O)c2c([H])c([H])c([H])n2C(=O)[C@]([H])(N([H])C([H])([H])C(=O)O[H])C([H])([H])C2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])c([H])n1C([H])([H])[H])N([H])[H]
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
ChEBI Ontology
Outgoing Relation(s)
(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-2-OXO-ETHYLAMINO)-ACETIC ACID (CHEBI:39607) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-2-OXO-ETHYLAMINO)-ACETIC ACIDPDBeChem
N-[(1R)-2-(2-{[(5-carbamimidoyl-1-methyl-1H-pyrrol-3-yl)methyl]carbamoyl}-1H-pyrrol-1-yl)-1-(cyclohexylmethyl)-2-oxoethyl]glycinePDBeChem
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