CHEBI:130250 - 1-[(2S,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(2S,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
ChEBI ID CHEBI:130250
Stars This entity has been manually annotated by a third party.
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Formula C27H38N4O6S
Net Charge 0
Average Mass 546.681
Monoisotopic Mass 546.25121
InChI InChI=1S/C27H38N4O6S/c1-18(2)28-27(34)29-22-11-12-24-21(13-22)14-26(33)31(20(4)17-32)15-19(3)25(37-24)16-30(5)38(35,36)23-9-7-6-8-10-23/h6-13,18-20,25,32H,14-17H2,1-5H3,(H2,28,29,34)/t19-,20-,25-/m1/s1
InChIKey HGWAOVZJNBZMAA-UMEGOILYSA-N
SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@@H]1CN(C)S(=O)(=O)C3=CC=CC=C3)[C@H](C)CO
ChEBI Ontology
Outgoing 1-[(2S,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea (CHEBI:130250) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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