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CHEBI:113771 - 1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea

ChEBI IDCHEBI:113771
ChEBI Name1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[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)Nc1cccc2c1O[C@@H](CN(C)C(=O)Nc1ccccc1)[C@H](C)CN([C@H](C)CO)C2=O
InChIInChI=1S/C27H37N5O5/c1-17(2)28-26(35)30-22-13-9-12-21-24(22)37-23(18(3)14-32(25(21)34)19(4)16-33)15-31(5)27(36)29-20-10-7-6-8-11-20/h6-13,17-19,23,33H,14-16H2,1-5H3,(H,29,36)(H2,28,30,35)/t18-,19-,23+/m1/s1
InChIKeyFNAJZGJPYUNJBY-PWHSHALESA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea (CHEBI:113771) is a ureas (CHEBI:47857)
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