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CHEBI:41349 - [[[3-(2-METHYL-PROPANE-2-SULFONYL)-1-BENZENYL]-2-PROPYL]-CARBONYL-HISTIDYL]-AMINO-[CYCLOHEXYLMETHYL]-[2-HYDROXY-4-ISOPROPYL]-PENTAN-5-OIC ACID BUTYLAMIDE

Default Structure
ChEBI IDCHEBI:41349
ChEBI Name[[[3-(2-METHYL-PROPANE-2-SULFONYL)-1-BENZENYL]-2-PROPYL]-CARBONYL-HISTIDYL]-AMINO-[CYCLOHEXYLMETHYL]-[2-HYDROXY-4-ISOPROPYL]-PENTAN-5-OIC ACID BUTYLAMIDE
Stars
DownloadsMolfile
FormulaC39H61N5O6S
Net Charge0
Average Mass728.013
Monoisotopic Mass727.43426
SMILES[H]c1nc([H])n([H])c1C([H])([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)C([H])([H])[C@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])N([H])C(=O)[C@]([H])(C([H])([H])c1c([H])c([H])c([H])c([H])c1[H])C([H])([H])S(=O)(=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C39H61N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-34H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30-,32+,33+,34+/m1/s1
InChIKeyAZRPRQTZEDQUGX-ZQTBNDFDSA-N
ChEBI Ontology
Outgoing Relation(s)
[[[3-(2-METHYL-PROPANE-2-SULFONYL)-1-BENZENYL]-2-PROPYL]-CARBONYL-HISTIDYL]-AMINO-[CYCLOHEXYLMETHYL]-[2-HYDROXY-4-ISOPROPYL]-PENTAN-5-OIC ACID BUTYLAMIDE (CHEBI:41349) is a unclassifieds (CHEBI:27189)
Synonyms  Source
[[[3-(2-METHYL-PROPANE-2-SULFONYL)-1-BENZENYL]-2-PROPYL]-CARBONYL-HISTIDYL]-AMINO-[CYCLOHEXYLMETHYL]-[2-HYDROXY-4-ISOPROPYL]-PENTAN-5-OIC ACID BUTYLAMIDEPDBeChem
Nalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-[(1S,4S)-4-(butylcarbamoyl)-1-(cyclohexylmethyl)-5-methyl-2-oxohexyl]-L-histidinamidePDBeChem
Manual XrefsDatabases
C60PDBeChem