CHEBI:112647 - N-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-2-naphthalenesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-2-naphthalenesulfonamide
ChEBI ID CHEBI:112647
Stars This entity has been manually annotated by a third party.
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Formula C26H35N5O5S
Net Charge 0
Average Mass 529.654
Monoisotopic Mass 529.23589
InChI InChI=1S/C26H35N5O5S/c1-19-15-30(20(2)17-32)26(33)9-6-12-31-23(14-27-28-31)18-36-25(19)16-29(3)37(34,35)24-11-10-21-7-4-5-8-22(21)13-24/h4-5,7-8,10-11,13-14,19-20,25,32H,6,9,12,15-18H2,1-3H3/t19-,20-,25+/m0/s1
InChIKey KFMYUMLTCHBBFY-ZYLNGJIFSA-N
SMILES C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-2-naphthalenesulfonamide (CHEBI:112647) is a naphthalenes (CHEBI:25477)
N-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-2-naphthalenesulfonamide (CHEBI:112647) is a sulfonic acid derivative (CHEBI:33552)
Manual Xref Database
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