CHEBI:129762 - 1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-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,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea
ChEBI ID CHEBI:129762
Stars This entity has been manually annotated by a third party.
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Formula C34H37N5O5
Net Charge 0
Average Mass 595.689
Monoisotopic Mass 595.27947
InChI InChI=1S/C34H37N5O5/c1-22-19-39(23(2)21-40)32(41)27-16-10-18-29(37-33(42)36-28-17-9-12-24-11-7-8-15-26(24)28)31(27)44-30(22)20-38(3)34(43)35-25-13-5-4-6-14-25/h4-18,22-23,30,40H,19-21H2,1-3H3,(H,35,43)(H2,36,37,42)/t22-,23-,30-/m1/s1
InChIKey HVSXLUFSWLAGEM-IQLGONJTSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)O[C@@H]1CN(C)C(=O)NC5=CC=CC=C5)[C@H](C)CO
ChEBI Ontology
Outgoing 1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea (CHEBI:129762) is a naphthalenes (CHEBI:25477)
Manual Xref Database
LSM-41313 LINCS
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