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CHEBI:94888 - N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide

ChEBI IDCHEBI:94888
ChEBI NameN-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide
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FormulaC24H31N3O6S2
Net Charge0
Average Mass521.661
Monoisotopic Mass521.16543
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2cccs2)Oc2c(NC(=O)C3CC3)cccc2C1=O
InChIInChI=1S/C24H31N3O6S2/c1-15-12-27(16(2)14-28)24(30)18-6-4-7-19(25-23(29)17-9-10-17)22(18)33-20(15)13-26(3)35(31,32)21-8-5-11-34-21/h4-8,11,15-17,20,28H,9-10,12-14H2,1-3H3,(H,25,29)/t15-,16+,20-/m0/s1
InChIKeySZINXIIPKDLEBK-YRNRMSPPSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide (CHEBI:94888) is a aromatic amide (CHEBI:62733)
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