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CHEBI:39852 - 3-BENZOYL-N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE

Default Structure
ChEBI IDCHEBI:39852
ChEBI Name3-BENZOYL-N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC29H33N3O5S
Net Charge0
Average Mass535.666
Monoisotopic Mass535.21409
SMILES[H]O[C@]([H])(C([H])([H])N([H])C1([H])C([H])([H])C1([H])[H])[C@@]([H])(N([H])C(=O)c1c([H])c(C(=O)c2c([H])c([H])c([H])c([H])c2[H])c([H])c(N(C([H])([H])[H])S(=O)(=O)C([H])([H])[H])c1[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H]
InChIInChI=1S/C29H33N3O5S/c1-32(38(2,36)37)25-17-22(28(34)21-11-7-4-8-12-21)16-23(18-25)29(35)31-26(15-20-9-5-3-6-10-20)27(33)19-30-24-13-14-24/h3-12,16-18,24,26-27,30,33H,13-15,19H2,1-2H3,(H,31,35)/t26-,27+/m0/s1
InChIKeyWCVRLSCSQDAERN-RRPNLBNLSA-N
ChEBI Ontology
Outgoing Relation(s)
3-BENZOYL-N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE (CHEBI:39852) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-BENZOYL-N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDEPDBeChem
N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-3-[methyl(methylsulfonyl)amino]-5-(phenylcarbonyl)benzamidePDBeChem
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