N-[(2R,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]-3-(4-morpholinyl)propanamide (CHEBI:124641)

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CHEBI:124641 - N-[(2R,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]-3-(4-morpholinyl)propanamide

Default Structure

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ChEBI ID	CHEBI:124641
ChEBI Name	N-[(2R,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]-3-(4-morpholinyl)propanamide
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Downloads	Molfile

Formula	C27H43N5O6
Net Charge	0
Average Mass	533.670
Monoisotopic Mass	533.32133
SMILES	CC(C)NC(=O)N(C)C[C@@H]1Oc2ccc(NC(=O)CCN3CCOCC3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C
InChI	InChI=1S/C27H43N5O6/c1-18(2)28-27(36)30(5)16-24-19(3)15-32(20(4)17-33)26(35)22-14-21(6-7-23(22)38-24)29-25(34)8-9-31-10-12-37-13-11-31/h6-7,14,18-20,24,33H,8-13,15-17H2,1-5H3,(H,28,36)(H,29,34)/t19-,20+,24+/m1/s1
InChIKey	BDKGXUIQJQYTAB-NMMYMHLASA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,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]-3-(4-morpholinyl)propanamide (CHEBI:124641) has functional parent β-amino acid (CHEBI:33706)
	N-[(2R,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]-3-(4-morpholinyl)propanamide (CHEBI:124641) is a organonitrogen compound (CHEBI:35352)
	N-[(2R,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]-3-(4-morpholinyl)propanamide (CHEBI:124641) is a organooxygen compound (CHEBI:36963)

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