CHEBI:113868 - 1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-10-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-10-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
ChEBI ID CHEBI:113868
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H39N5O6
Net Charge 0
Average Mass 541.640
Monoisotopic Mass 541.29003
InChI InChI=1S/C28H39N5O6/c1-17(2)29-28(37)32(5)15-24-18(3)14-33(19(4)16-34)26(35)22-8-7-9-23(25(22)39-24)31-27(36)30-20-10-12-21(38-6)13-11-20/h7-13,17-19,24,34H,14-16H2,1-6H3,(H,29,37)(H2,30,31,36)/t18-,19+,24+/m0/s1
InChIKey IBFNJHBZCKBINA-XLNZFTOWSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@@H]1CN(C)C(=O)NC(C)C)[C@H](C)CO
ChEBI Ontology
Outgoing 1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-10-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:113868) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-25300 LINCS
View more database links