CHEBI:113583 - N-[(2R,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide
ChEBI ID CHEBI:113583
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C34H45N5O5
Net Charge 0
Average Mass 603.753
Monoisotopic Mass 603.34207
InChI InChI=1S/C34H45N5O5/c1-22-18-39(23(2)21-40)33(42)28-17-26(35-32(41)16-24-19-37(3)29-13-9-8-12-27(24)29)14-15-30(28)44-31(22)20-38(4)34(43)36-25-10-6-5-7-11-25/h8-9,12-15,17,19,22-23,25,31,40H,5-7,10-11,16,18,20-21H2,1-4H3,(H,35,41)(H,36,43)/t22-,23-,31-/m0/s1
InChIKey ZSZRFUWYOKUGNE-BVXAZASISA-N
SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CN(C4=CC=CC=C43)C)O[C@H]1CN(C)C(=O)NC5CCCCC5)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide (CHEBI:113583) is a indoles (CHEBI:24828)
Manual Xref Database
LSM-25015 LINCS
View more database links