N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide (CHEBI:124453)

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CHEBI:124453 - N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide

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ChEBI ID	CHEBI:124453
ChEBI Name	N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
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Downloads	Molfile

Formula	C26H35N5O5
Net Charge	0
Average Mass	497.596
Monoisotopic Mass	497.26382
SMILES	CC(C)NC(=O)N(C)C[C@H]1Oc2ccc(NC(=O)c3ccncc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C
InChI	InChI=1S/C26H35N5O5/c1-16(2)28-26(35)30(5)14-23-17(3)13-31(18(4)15-32)25(34)21-12-20(6-7-22(21)36-23)29-24(33)19-8-10-27-11-9-19/h6-12,16-18,23,32H,13-15H2,1-5H3,(H,28,35)(H,29,33)/t17-,18+,23-/m1/s1
InChIKey	KQKNLAIOLKLINJ-IEGUWTFLSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide (CHEBI:124453) is a pyridinecarboxamide (CHEBI:25529)

Manual Xrefs	Databases
LSM-35895	LINCS