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CHEBI:39953 - N-[(3-CARBOXYBENZYL)SULFONYL]ISOLEUCYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-5-IMINOORNITHINAMIDE

Default Structure
ChEBI IDCHEBI:39953
ChEBI NameN-[(3-CARBOXYBENZYL)SULFONYL]ISOLEUCYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-5-IMINOORNITHINAMIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC27H37N7O6S
Net Charge0
Average Mass587.703
Monoisotopic Mass587.25260
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])c2c([H])c([H])c([H])c(C(=O)O[H])c2[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])/C(=N/[H])N([H])[H])c([H])c1[H])N([H])[H]
InChIInChI=1S/C27H37N7O6S/c1-3-16(2)23(34-41(39,40)15-18-5-4-6-20(13-18)27(37)38)26(36)33-21(11-12-22(28)29)25(35)32-14-17-7-9-19(10-8-17)24(30)31/h4-10,13,16,21,23,34H,3,11-12,14-15H2,1-2H3,(H3,28,29)(H3,30,31)(H,32,35)(H,33,36)(H,37,38)/t16-,21+,23-/m1/s1
InChIKeyUBGNMISWPGURDN-XORNHQRDSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3-CARBOXYBENZYL)SULFONYL]ISOLEUCYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-5-IMINOORNITHINAMIDE (CHEBI:39953) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N-[(3-carboxybenzyl)sulfonyl]-D-isoleucyl-N-(4-carbamimidoylbenzyl)-5-imino-L-ornithinamidePDBeChem
N-[(3-CARBOXYBENZYL)SULFONYL]ISOLEUCYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-5-IMINOORNITHINAMIDEPDBeChem
Manual XrefsDatabases
3CBPDBeChem