CHEBI:108616 - N-[(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide

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ChEBI Name N-[(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
ChEBI ID CHEBI:108616
Stars This entity has been manually annotated by a third party.
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Formula C22H35N3O5S
Net Charge 0
Average Mass 453.597
Monoisotopic Mass 453.22974
InChI InChI=1S/C22H35N3O5S/c1-15-11-25(16(2)14-26)22(27)10-18-9-19(23-31(4,28)29)7-8-20(18)30-21(15)13-24(3)12-17-5-6-17/h7-9,15-17,21,23,26H,5-6,10-14H2,1-4H3/t15-,16+,21+/m0/s1
InChIKey LKTOUOMEFKMKTF-GCKMJXCFSA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C)O[C@@H]1CN(C)CC3CC3)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide (CHEBI:108616) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-20016 LINCS
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