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CHEBI:40185 - N-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-L-GLUTAMAMIDE

Default Structure
ChEBI IDCHEBI:40185
ChEBI NameN-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-L-GLUTAMAMIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC29H39N7O6S
Net Charge0
Average Mass613.741
Monoisotopic Mass613.26825
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(OC([H])([H])C([H])([H])C([H])([H])[H])c([H])c23)C([H])([H])C([H])([H])C(=O)N([H])[H])c([H])c1[H])N([H])[H]
InChIInChI=1S/C29H39N7O6S/c1-3-13-42-21-9-10-23-22(15-21)20(17-33-23)14-25(36-43(40,41)4-2)29(39)35-24(11-12-26(30)37)28(38)34-16-18-5-7-19(8-6-18)27(31)32/h5-10,15,17,24-25,33,36H,3-4,11-14,16H2,1-2H3,(H2,30,37)(H3,31,32)(H,34,38)(H,35,39)/t24-,25+/m0/s1
InChIKeyUHMORXPPNXDKHY-LOSJGSFVSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-L-GLUTAMAMIDE (CHEBI:40185) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N-(ethylsulfonyl)-5-propoxy-D-tryptophyl-N~1~-(4-carbamimidoylbenzyl)-L-glutamamidePDBeChem
N-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-L-GLUTAMAMIDEPDBeChem
Manual XrefsDatabases
5PIPDBeChem