CHEBI:95310 - 1-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-fluorophenyl)urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-fluorophenyl)urea
ChEBI ID CHEBI:95310
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C30H33Cl2FN4O4
Net Charge 0
Average Mass 603.513
Monoisotopic Mass 602.18629
InChI InChI=1S/C30H33Cl2FN4O4/c1-18-14-37(19(2)17-38)29(39)23-5-4-6-26(35-30(40)34-22-10-8-21(33)9-11-22)28(23)41-27(18)16-36(3)15-20-7-12-24(31)25(32)13-20/h4-13,18-19,27,38H,14-17H2,1-3H3,(H2,34,35,40)/t18-,19+,27+/m0/s1
InChIKey VLUBEHZZNKTZLC-DSNGTPCMSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=C(C=C3)F)O[C@@H]1CN(C)CC4=CC(=C(C=C4)Cl)Cl)[C@H](C)CO
ChEBI Ontology
Outgoing 1-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-fluorophenyl)urea (CHEBI:95310) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-6664 LINCS
View more database links