CHEBI:109444 - 5-methyl-N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-(2-naphthalenylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-3-isoxazolecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-methyl-N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-(2-naphthalenylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-3-isoxazolecarboxamide
ChEBI ID CHEBI:109444
Stars This entity has been manually annotated by a third party.
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Formula C29H29N3O3
Net Charge 0
Average Mass 467.560
Monoisotopic Mass 467.22089
InChI InChI=1S/C29H29N3O3/c1-18-15-25(32-35-18)28(34)31-26(21-10-5-4-6-11-21)29(3)17-24(29)19(2)27(33)30-23-14-13-20-9-7-8-12-22(20)16-23/h4-16,19,24,26H,17H2,1-3H3,(H,30,33)(H,31,34)/t19-,24-,26-,29+/m1/s1
InChIKey GEZMALYAXNUEJF-JUCUOUSCSA-N
SMILES CC1=CC(=NO1)C(=O)N[C@H](C2=CC=CC=C2)[C@]3(C[C@@H]3[C@@H](C)C(=O)NC4=CC5=CC=CC=C5C=C4)C
ChEBI Ontology
Outgoing 5-methyl-N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-(2-naphthalenylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-3-isoxazolecarboxamide (CHEBI:109444) is a naphthalenes (CHEBI:25477)
Manual Xref Database
LSM-20842 LINCS
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