CHEBI:130861 - N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide

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ChEBI Name N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide
ChEBI ID CHEBI:130861
Stars This entity has been manually annotated by a third party.
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Formula C35H40Cl2N4O4
Net Charge 0
Average Mass 651.624
Monoisotopic Mass 650.24266
InChI InChI=1S/C35H40Cl2N4O4/c1-22-17-41(23(2)21-42)35(44)16-25-14-27(38-34(43)15-26-19-40(4)31-8-6-5-7-28(26)31)10-12-32(25)45-33(22)20-39(3)18-24-9-11-29(36)30(37)13-24/h5-14,19,22-23,33,42H,15-18,20-21H2,1-4H3,(H,38,43)/t22-,23+,33+/m1/s1
InChIKey HTBVGGFTFZKUKZ-QYUJLGCLSA-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)CC5=CC(=C(C=C5)Cl)Cl)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide (CHEBI:130861) is a indoles (CHEBI:24828)
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