CHEBI:130386 - N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide
ChEBI ID CHEBI:130386
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C32H43N5O5
Net Charge 0
Average Mass 577.716
Monoisotopic Mass 577.32642
InChI InChI=1S/C32H43N5O5/c1-20(2)33-32(41)36(6)18-29-21(3)16-37(22(4)19-38)31(40)15-23-13-25(11-12-28(23)42-29)34-30(39)14-24-17-35(5)27-10-8-7-9-26(24)27/h7-13,17,20-22,29,38H,14-16,18-19H2,1-6H3,(H,33,41)(H,34,39)/t21-,22-,29-/m0/s1
InChIKey PXCLLIDWELYOMM-SYZUXVNWSA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CC3=CN(C4=CC=CC=C43)C)O[C@H]1CN(C)C(=O)NC(C)C)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide (CHEBI:130386) is a indoles (CHEBI:24828)
Manual Xref Database
LSM-41935 LINCS
View more database links