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CHEBI:113587 - N-[(2R,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide

ChEBI IDCHEBI:113587
ChEBI NameN-[(2R,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide
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DownloadsMolfile
FormulaC34H45N5O5
Net Charge0
Average Mass603.764
Monoisotopic Mass603.34207
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@H]1CN(C)C(=O)NC1CCCCC1
InChIInChI=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+/m1/s1
InChIKeyZSZRFUWYOKUGNE-PKIAKLFDSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide (CHEBI:113587) is a indoles (CHEBI:24828)
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