CHEBI:106807 - 4-chloro-N-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzenesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-chloro-N-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzenesulfonamide
ChEBI ID CHEBI:106807
Stars This entity has been manually annotated by a third party.
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Formula C30H44ClN3O6S
Net Charge 0
Average Mass 610.207
Monoisotopic Mass 609.26393
InChI InChI=1S/C30H44ClN3O6S/c1-21-18-34(22(2)20-35)30(36)27-17-25(32(4)5)12-15-28(27)40-23(3)9-7-8-16-39-29(21)19-33(6)41(37,38)26-13-10-24(31)11-14-26/h10-15,17,21-23,29,35H,7-9,16,18-20H2,1-6H3/t21-,22-,23+,29+/m0/s1
InChIKey LZRQCLPDICKWHD-UJUOIFIWSA-N
SMILES C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)Cl
ChEBI Ontology
Outgoing 4-chloro-N-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzenesulfonamide (CHEBI:106807) is a azamacrocycle (CHEBI:52898)
4-chloro-N-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzenesulfonamide (CHEBI:106807) is a lactam (CHEBI:24995)
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