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CHEBI:42859 - N-[(1R)-1-[(benzylsulfonyl)methyl]-2-{[(1S)-1-methyl-2-{[4-(trifluoromethoxy)phenyl]amino}ethyl]amino}-2-oxoethyl]morpholine-4-carboxamide

ChEBI IDCHEBI:42859
ChEBI NameN-[(1R)-1-[(benzylsulfonyl)methyl]-2-{[(1S)-1-methyl-2-{[4-(trifluoromethoxy)phenyl]amino}ethyl]amino}-2-oxoethyl]morpholine-4-carboxamide
Stars
ASCII NameN-[(1R)-1-[(benzylsulfonyl)methyl]-2-{[(1S)-1-methyl-2-{[4-(trifluoromethoxy)phenyl]amino}ethyl]amino}-2-oxoethyl]morpholine-4-carboxamide
Last Modified17 October 2009
DownloadsMolfile
FormulaC25H31F3N4O6S
Net Charge0
Average Mass572.606
Monoisotopic Mass572.19164
SMILES[H]c1c([H])c([H])c(C([H])([H])S(=O)(=O)C([H])([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C([H])([H])[H])C([H])([H])N([H])c2c([H])c([H])c(OC(F)(F)F)c([H])c2[H])N([H])C(=O)N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])c([H])c1[H]
InChIInChI=1S/C25H31F3N4O6S/c1-18(15-29-20-7-9-21(10-8-20)38-25(26,27)28)30-23(33)22(31-24(34)32-11-13-37-14-12-32)17-39(35,36)16-19-5-3-2-4-6-19/h2-10,18,22,29H,11-17H2,1H3,(H,30,33)(H,31,34)/t18-,22-/m0/s1
InChIKeyLIOLGHUQUQDMDF-AVRDEDQJSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R)-1-[(benzylsulfonyl)methyl]-2-{[(1S)-1-methyl-2-{[4-(trifluoromethoxy)phenyl]amino}ethyl]amino}-2-oxoethyl]morpholine-4-carboxamide (CHEBI:42859) is a morpholines (CHEBI:38785)
N-[(1R)-1-[(benzylsulfonyl)methyl]-2-{[(1S)-1-methyl-2-{[4-(trifluoromethoxy)phenyl]amino}ethyl]amino}-2-oxoethyl]morpholine-4-carboxamide (CHEBI:42859) is a organofluorine compound (CHEBI:37143)
N-[(1R)-1-[(benzylsulfonyl)methyl]-2-{[(1S)-1-methyl-2-{[4-(trifluoromethoxy)phenyl]amino}ethyl]amino}-2-oxoethyl]morpholine-4-carboxamide (CHEBI:42859) is a ureas (CHEBI:47857)
Synonyms  Source
N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDEPDBeChem
N-[(1R)-1-[(benzylsulfonyl)methyl]-2-{[(1S)-1-methyl-2-{[4-(trifluoromethoxy)phenyl]amino}ethyl]amino}-2-oxoethyl]morpholine-4-carboxamidePDBeChem
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