CHEBI:112500 - N-(2-aminophenyl)-4-[[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl-methylamino]methyl]benzamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-(2-aminophenyl)-4-[[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl-methylamino]methyl]benzamide
ChEBI ID CHEBI:112500
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H41N7O4
Net Charge 0
Average Mass 563.692
Monoisotopic Mass 563.32200
InChI InChI=1S/C30H41N7O4/c1-21-15-37(22(2)19-38)29(39)9-6-14-36-17-25(33-34-36)20-41-28(21)18-35(3)16-23-10-12-24(13-11-23)30(40)32-27-8-5-4-7-26(27)31/h4-5,7-8,10-13,17,21-22,28,38H,6,9,14-16,18-20,31H2,1-3H3,(H,32,40)/t21-,22-,28+/m0/s1
InChIKey UVZKFWVLTKDOOG-RXYILKCJSA-N
SMILES C[C@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)N=N2)[C@@H](C)CO
ChEBI Ontology
Outgoing N-(2-aminophenyl)-4-[[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl-methylamino]methyl]benzamide (CHEBI:112500) is a benzamides (CHEBI:22702)
Manual Xref Database
LSM-23912 LINCS
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