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CHEBI:113639 - 1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea

ChEBI IDCHEBI:113639
ChEBI Name1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea
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DownloadsMolfile
FormulaC27H37N5O5
Net Charge0
Average Mass511.623
Monoisotopic Mass511.27947
SMILESCC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)Nc1ccccc1)O2
InChIInChI=1S/C27H37N5O5/c1-17(2)28-26(35)29-21-11-12-23-22(13-21)25(34)32(19(4)16-33)14-18(3)24(37-23)15-31(5)27(36)30-20-9-7-6-8-10-20/h6-13,17-19,24,33H,14-16H2,1-5H3,(H,30,36)(H2,28,29,35)/t18-,19-,24-/m1/s1
InChIKeyYWOLVGYTMULQAH-KHCICDEESA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea (CHEBI:113639) is a ureas (CHEBI:47857)
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