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CHEBI:130883 - 1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea

ChEBI IDCHEBI:130883
ChEBI Name1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
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DownloadsMolfile
FormulaC33H42N4O4
Net Charge0
Average Mass558.723
Monoisotopic Mass558.32061
SMILESCC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccc(-c3ccccc3)cc1)O2
InChIInChI=1S/C33H42N4O4/c1-22(2)34-33(40)35-28-15-16-30-29(17-28)32(39)37(24(4)21-38)18-23(3)31(41-30)20-36(5)19-25-11-13-27(14-12-25)26-9-7-6-8-10-26/h6-17,22-24,31,38H,18-21H2,1-5H3,(H2,34,35,40)/t23-,24-,31-/m1/s1
InChIKeyKRCYYDXJFSFYMC-OVMXQCPESA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea (CHEBI:130883) is a biphenyls (CHEBI:22888)
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