CHEBI:124739 - N-[(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-thiophenesulfonamide

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ChEBI Name N-[(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-thiophenesulfonamide
ChEBI ID CHEBI:124739
Stars This entity has been manually annotated by a third party.
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Formula C24H33N3O5S2
Net Charge 0
Average Mass 507.669
Monoisotopic Mass 507.18616
InChI InChI=1S/C24H33N3O5S2/c1-16-12-27(17(2)15-28)24(29)20-11-19(25-34(30,31)23-5-4-10-33-23)8-9-21(20)32-22(16)14-26(3)13-18-6-7-18/h4-5,8-11,16-18,22,25,28H,6-7,12-15H2,1-3H3/t16-,17+,22+/m0/s1
InChIKey VMAGSIYNIDXVES-GSHUGGBRSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CS3)O[C@@H]1CN(C)CC4CC4)[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-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-thiophenesulfonamide (CHEBI:124739) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-36181 LINCS
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