CHEBI:108786 - 1-[[(2S,3S)-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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[[(2S,3S)-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 ID CHEBI:108786
Stars This entity has been manually annotated by a third party.
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Formula C27H37N5O5
Net Charge 0
Average Mass 511.614
Monoisotopic Mass 511.27947
InChI InChI=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+/m0/s1
InChIKey FNAJZGJPYUNJBY-YCRNBWNJSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC(C)C)O[C@@H]1CN(C)C(=O)NC3=CC=CC=C3)[C@H](C)CO
ChEBI Ontology
Outgoing 1-[[(2S,3S)-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:108786) is a ureas (CHEBI:47857)
Manual Xref Database
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