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CHEBI:41512 - [7-(2-{4-[(2S)-2-({[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl}amino)-3-methoxy-3-oxopropyl]phenyl}ethyl)-1H-indol-3-yl](oxo)acetic acid

ChEBI IDCHEBI:41512
ChEBI Name[7-(2-{4-[(2S)-2-({[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl}amino)-3-methoxy-3-oxopropyl]phenyl}ethyl)-1H-indol-3-yl](oxo)acetic acid
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ASCII Name[7-(2-{4-[(2S)-2-({[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl}amino)-3-methoxy-3-oxopropyl]phenyl}ethyl)-1H-indol-3-yl](oxo)acetic acid
Last Modified16 May 2008
DownloadsMolfile
FormulaC30H35N5O6
Net Charge0
Average Mass561.639
Monoisotopic Mass561.25873
SMILES[H]/N=C(\N([H])[H])N1C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])C(=O)N([H])[C@]([H])(C(=O)OC([H])([H])[H])C([H])([H])c2c([H])c([H])c(C([H])([H])C([H])([H])c3c([H])c([H])c([H])c4c(C(=O)C(=O)O[H])c([H])n([H])c34)c([H])c2[H])C1([H])[H]
InChIInChI=1S/C30H35N5O6/c1-41-29(40)24(34-25(36)15-20-4-3-13-35(17-20)30(31)32)14-19-9-7-18(8-10-19)11-12-21-5-2-6-22-23(16-33-26(21)22)27(37)28(38)39/h2,5-10,16,20,24,33H,3-4,11-15,17H2,1H3,(H3,31,32)(H,34,36)(H,38,39)/t20-,24+/m1/s1
InChIKeyYRVAENMKEUHMEX-YKSBVNFPSA-N
ChEBI Ontology
Outgoing Relation(s)
[7-(2-{4-[(2S)-2-({[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl}amino)-3-methoxy-3-oxopropyl]phenyl}ethyl)-1H-indol-3-yl](oxo)acetic acid (CHEBI:41512) is a N-carbamimidoylpiperidine (CHEBI:48656)
[7-(2-{4-[(2S)-2-({[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl}amino)-3-methoxy-3-oxopropyl]phenyl}ethyl)-1H-indol-3-yl](oxo)acetic acid (CHEBI:41512) is a indole-3-acetic acids (CHEBI:24803)
Synonyms  Source
2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTERPDBeChem
[7-(2-{4-[(2S)-2-({[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl}amino)-3-methoxy-3-oxopropyl]phenyl}ethyl)-1H-indol-3-yl](oxo)acetic acidPDBeChem
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