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CHEBI:47572 - N-{(5S)-5-[{[4-(AMINOMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]-6-HYDROXYHEXYL}-NALPHA-(METHOXYCARBONYL)-BETA-PHENYL-L-PHENYLALANINAMIDE

Default Structure
ChEBI IDCHEBI:47572
ChEBI NameN-{(5S)-5-[{[4-(AMINOMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]-6-HYDROXYHEXYL}-NALPHA-(METHOXYCARBONYL)-BETA-PHENYL-L-PHENYLALANINAMIDE
Stars
DownloadsMolfile
FormulaC34H46N4O6S
Net Charge0
Average Mass638.831
Monoisotopic Mass638.31381
SMILES[H]OC([H])([H])[C@@]([H])(N(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])S(=O)(=O)c1c([H])c([H])c(C([H])([H])N([H])[H])c([H])c1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)OC([H])([H])[H])C([H])(c1c([H])c([H])c([H])c([H])c1[H])c1c([H])c([H])c([H])c([H])c1[H]
InChIInChI=1S/C34H46N4O6S/c1-25(2)23-38(45(42,43)30-19-17-26(22-35)18-20-30)29(24-39)16-10-11-21-36-33(40)32(37-34(41)44-3)31(27-12-6-4-7-13-27)28-14-8-5-9-15-28/h4-9,12-15,17-20,25,29,31-32,39H,10-11,16,21-24,35H2,1-3H3,(H,36,40)(H,37,41)/t29-,32-/m0/s1
InChIKeyMIZXPWSGOFJDNM-NYDCQLBNSA-N
ChEBI Ontology
Outgoing Relation(s)
N-{(5S)-5-[{[4-(AMINOMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]-6-HYDROXYHEXYL}-NALPHA-(METHOXYCARBONYL)-BETA-PHENYL-L-PHENYLALANINAMIDE (CHEBI:47572) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N-{(5S)-5-[{[4-(aminomethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-6-hydroxyhexyl}-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamidePDBeChem
N-{(5S)-5-[{[4-(AMINOMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]-6-HYDROXYHEXYL}-NALPHA-(METHOXYCARBONYL)-BETA-PHENYL-L-PHENYLALANINAMIDEPDBeChem
Manual XrefsDatabases
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