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CHEBI:40610 - ANTIPAIN

Default Structure
ChEBI IDCHEBI:40610
ChEBI NameANTIPAIN
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC27H44N10O6
Net Charge0
Average Mass604.713
Monoisotopic Mass604.34453
SMILES[H]/N=C(/N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])=O)N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)N([H])[C@]([H])(C(=O)O[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H])C([H])([H])C([H])([H])C([H])([H])N([H])/C(=N\[H])N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C27H44N10O6/c1-16(2)21(23(40)34-18(15-38)10-6-12-32-25(28)29)37-22(39)19(11-7-13-33-26(30)31)35-27(43)36-20(24(41)42)14-17-8-4-3-5-9-17/h3-5,8-9,15-16,18-21H,6-7,10-14H2,1-2H3,(H,34,40)(H,37,39)(H,41,42)(H4,28,29,32)(H4,30,31,33)(H2,35,36,43)/t18-,19-,20-,21-/m0/s1
InChIKeySDNYTAYICBFYFH-TUFLPTIASA-N
ChEBI Ontology
Outgoing Relation(s)
ANTIPAIN (CHEBI:40610) is a unclassifieds (CHEBI:27189)
Synonyms  Source
ANTIPAINPDBeChem
N~2~-[(1-carboxy-2-phenylethyl)carbamoyl]arginyl-N-[(1S)-4-carbamimidamido-1-formylbutyl]-L-valinamidePDBeChem
Manual XrefsDatabases
AIPPDBeChem