CHEBI:108608 - N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
ChEBI ID CHEBI:108608
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)18-26-17-27(36-33(42)25-13-15-35-16-14-25)11-12-30(26)44-31(22)20-38(3)34(43)37-29-10-6-8-24-7-4-5-9-28(24)29/h4-17,22-23,31,40H,18-21H2,1-3H3,(H,36,42)(H,37,43)/t22-,23-,31-/m0/s1
InChIKey LDEMJBAJJXLTPL-BVXAZASISA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3=CC=NC=C3)O[C@H]1CN(C)C(=O)NC4=CC=CC5=CC=CC=C54)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide (CHEBI:108608) is a naphthalenes (CHEBI:25477)
Manual Xref Database
LSM-20008 LINCS
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