EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:108652 - N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide

ChEBI IDCHEBI:108652
ChEBI NameN-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
Stars
DownloadsMolfile
FormulaC33H35N5O5
Net Charge0
Average Mass581.673
Monoisotopic Mass581.26382
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2cccc3ccccc23)Oc2c(NC(=O)c3ccncc3)cccc2C1=O
InChIInChI=1S/C33H35N5O5/c1-21-18-38(22(2)20-39)32(41)26-11-7-13-28(35-31(40)24-14-16-34-17-15-24)30(26)43-29(21)19-37(3)33(42)36-27-12-6-9-23-8-4-5-10-25(23)27/h4-17,21-22,29,39H,18-20H2,1-3H3,(H,35,40)(H,36,42)/t21-,22+,29+/m0/s1
InChIKeyUCPVSNSDYZNCRX-DKGMKSHISA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide (CHEBI:108652) is a naphthalenes (CHEBI:25477)
Manual XrefsDatabases
LSM-20051LINCS