N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:125794)

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CHEBI:125794 - N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-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:125794
ChEBI Name	N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
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Downloads	Molfile

Formula	C30H40Cl2N4O5
Net Charge	0
Average Mass	607.579
Monoisotopic Mass	606.23758
SMILES	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)CCN3CCOCC3)cc2C1=O
InChI	InChI=1S/C30H40Cl2N4O5/c1-20-16-36(21(2)19-37)30(39)24-15-23(33-29(38)8-9-35-10-12-40-13-11-35)5-7-27(24)41-28(20)18-34(3)17-22-4-6-25(31)26(32)14-22/h4-7,14-15,20-21,28,37H,8-13,16-19H2,1-3H3,(H,33,38)/t20-,21+,28+/m0/s1
InChIKey	MBYSPZBDJUJKKO-BALWLHIASA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:125794) has functional parent β-amino acid (CHEBI:33706)
	N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:125794) is a organonitrogen compound (CHEBI:35352)
	N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:125794) is a organooxygen compound (CHEBI:36963)

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LSM-37363	LINCS