CHEBI:103636 - N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide
ChEBI ID CHEBI:103636
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C34H50N4O6
Net Charge 0
Average Mass 610.785
Monoisotopic Mass 610.37304
InChI InChI=1S/C34H50N4O6/c1-23(2)35-34(42)36-28-15-16-30-29(19-28)33(41)38(25(4)22-39)20-24(3)31(43-17-11-10-12-26(5)44-30)21-37(6)32(40)18-27-13-8-7-9-14-27/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H2,35,36,42)/t24-,25+,26+,31+/m1/s1
InChIKey IEZOTXDZAGKSTL-OLHJXYGRSA-N
SMILES C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3
ChEBI Ontology
Outgoing N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide (CHEBI:103636) is a azamacrocycle (CHEBI:52898)
N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide (CHEBI:103636) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-14980 LINCS
View more database links
Last Modified
03 March 2016