Terminology Service for NFDI4Health
1-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-cyclohexylurea
Go to external page
http://purl.obolibrary.org/obo/CHEBI_111724
Term info
Label
1-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-cyclohexylurea
Subsets
2_STAR
charge
0
formula
C30H41ClN4O6S
has obo namespace
chebi_ontology
id
CHEBI:111724
inchi
InChI=1S/C30H41ClN4O6S/c1-20-17-35(21(2)19-36)29(37)16-22-15-25(33-30(38)32-24-7-5-4-6-8-24)11-14-27(22)41-28(20)18-34(3)42(39,40)26-12-9-23(31)10-13-26/h9-15,20-21,24,28,36H,4-8,16-19H2,1-3H3,(H2,32,33,38)/t20-,21+,28-/m0/s1
inchikey
XMVMBOAJKPBQKX-GTNJKRJXSA-N
mass
621.190
monoisotopicmass
620.24353
smiles
C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3CCCCC3)O[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl)[C@H](C)CO