CHEBI:108784 - 1-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

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ChEBI Name 1-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea
ChEBI ID CHEBI:108784
Stars This entity has been manually annotated by a third party.
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Formula C30H35FN4O6S
Net Charge 0
Average Mass 598.688
Monoisotopic Mass 598.22613
InChI InChI=1S/C30H35FN4O6S/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/h4-15,20-21,28,36H,16-19H2,1-3H3,(H2,32,33,38)/t20-,21-,28-/m0/s1
InChIKey WWNAWZZZIRHUSD-CZBREUMFSA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3)O[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)F)[C@@H](C)CO
ChEBI Ontology
Outgoing 1-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea (CHEBI:108784) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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