N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide (CHEBI:129847)

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CHEBI:129847 - N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide

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ChEBI ID	CHEBI:129847
ChEBI Name	N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide
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Downloads	Molfile

Formula	C40H44N4O5
Net Charge	0
Average Mass	660.815
Monoisotopic Mass	660.33117
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
InChI	InChI=1S/C40H44N4O5/c1-27-22-44(28(2)26-45)40(47)35-21-31(41-39(46)20-30-24-43(4)36-13-9-8-12-34(30)36)16-19-37(35)49-38(27)25-42(3)23-29-14-17-33(18-15-29)48-32-10-6-5-7-11-32/h5-19,21,24,27-28,38,45H,20,22-23,25-26H2,1-4H3,(H,41,46)/t27-,28+,38+/m1/s1
InChIKey	PBKGJIYWLALRHB-ZEVRPEKRSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide (CHEBI:129847) is a aromatic ether (CHEBI:35618)

Manual Xrefs	Databases
LSM-41398	LINCS