EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:108714 - 1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea

ChEBI IDCHEBI:108714
ChEBI Name1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea
Stars
DownloadsMolfile
FormulaC27H37N5O5
Net Charge0
Average Mass511.623
Monoisotopic Mass511.27947
SMILESCC(C)NC(=O)Nc1cccc2c1O[C@@H](CN(C)C(=O)Nc1ccccc1)[C@@H](C)CN([C@H](C)CO)C2=O
InChIInChI=1S/C27H37N5O5/c1-17(2)28-26(35)30-22-13-9-12-21-24(22)37-23(18(3)14-32(25(21)34)19(4)16-33)15-31(5)27(36)29-20-10-7-6-8-11-20/h6-13,17-19,23,33H,14-16H2,1-5H3,(H,29,36)(H2,28,30,35)/t18-,19+,23-/m0/s1
InChIKeyFNAJZGJPYUNJBY-YYDVJCTNSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea (CHEBI:108714) is a ureas (CHEBI:47857)
Manual XrefsDatabases
LSM-20113LINCS