CHEBI:113594 - 3-cyclohexyl-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-cyclohexyl-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
ChEBI ID CHEBI:113594
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C34H43N5O5
Net Charge 0
Average Mass 601.737
Monoisotopic Mass 601.32642
InChI InChI=1S/C34H43N5O5/c1-22-19-39(23(2)21-40)32(41)28-18-26(35-33(42)37-29-15-9-11-24-10-7-8-14-27(24)29)16-17-30(28)44-31(22)20-38(3)34(43)36-25-12-5-4-6-13-25/h7-11,14-18,22-23,25,31,40H,4-6,12-13,19-21H2,1-3H3,(H,36,43)(H2,35,37,42)/t22-,23+,31+/m0/s1
InChIKey QXYCJPXUIIEYFH-INEJIFKHSA-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)NC5CCCCC5)[C@H](C)CO
ChEBI Ontology
Outgoing 3-cyclohexyl-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (CHEBI:113594) is a naphthalenes (CHEBI:25477)
Manual Xref Database
LSM-25026 LINCS
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