CHEBI:124667 - N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1-methyl-4-imidazolesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1-methyl-4-imidazolesulfonamide
ChEBI ID CHEBI:124667
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H33Cl2N5O5S
Net Charge 0
Average Mass 610.554
Monoisotopic Mass 609.15795
InChI InChI=1S/C27H33Cl2N5O5S/c1-17-11-34(18(2)15-35)27(36)20-6-5-7-23(31-40(37,38)25-14-33(4)16-30-25)26(20)39-24(17)13-32(3)12-19-8-9-21(28)22(29)10-19/h5-10,14,16-18,24,31,35H,11-13,15H2,1-4H3/t17-,18-,24-/m0/s1
InChIKey DQJASTCPTZTXMM-XFAGBWLFSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C3=CN(C=N3)C)O[C@H]1CN(C)CC4=CC(=C(C=C4)Cl)Cl)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1-methyl-4-imidazolesulfonamide (CHEBI:124667) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-36109 LINCS
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