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CHEBI:44760 - N-(ETHYLSULFONYL)TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLUTAMAMIDE

Default Structure
ChEBI IDCHEBI:44760
ChEBI NameN-(ETHYLSULFONYL)TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLUTAMAMIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC26H33N7O5S
Net Charge0
Average Mass555.661
Monoisotopic Mass555.22639
SMILES[H]/N=C(/c1c([H])c([H])c(C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])S(=O)(=O)C([H])([H])C([H])([H])[H])C([H])([H])c2c([H])n([H])c3c([H])c([H])c([H])c([H])c23)C([H])([H])C([H])([H])C(=O)N([H])[H])c([H])c1[H])N([H])[H]
InChIInChI=1S/C26H33N7O5S/c1-2-39(37,38)33-22(13-18-15-30-20-6-4-3-5-19(18)20)26(36)32-21(11-12-23(27)34)25(35)31-14-16-7-9-17(10-8-16)24(28)29/h3-10,15,21-22,30,33H,2,11-14H2,1H3,(H2,27,34)(H3,28,29)(H,31,35)(H,32,36)/t21-,22+/m0/s1
InChIKeyFJGWLOKDOKYXMU-FCHUYYIVSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(ETHYLSULFONYL)TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLUTAMAMIDE (CHEBI:44760) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N-(ethylsulfonyl)-D-tryptophyl-N~1~-(4-carbamimidoylbenzyl)-L-glutamamidePDBeChem
N-(ETHYLSULFONYL)TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLUTAMAMIDEPDBeChem
Manual XrefsDatabases
P5BPDBeChem