CHEBI:94858 - 1-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea
ChEBI ID CHEBI:94858
Stars This entity has been manually annotated by a third party.
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Formula C34H38N4O6S
Net Charge 0
Average Mass 630.756
Monoisotopic Mass 630.25121
InChI InChI=1S/C34H38N4O6S/c1-22-15-17-26(18-16-22)45(42,43)37(4)20-31-23(2)19-38(24(3)21-39)33(40)28-12-8-14-30(32(28)44-31)36-34(41)35-29-13-7-10-25-9-5-6-11-27(25)29/h5-18,23-24,31,39H,19-21H2,1-4H3,(H2,35,36,41)/t23-,24-,31+/m1/s1
InChIKey VPRUVRPQZVHKTA-GQIGMWPISA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)O[C@H]1CN(C)S(=O)(=O)C5=CC=C(C=C5)C)[C@H](C)CO
ChEBI Ontology
Outgoing 1-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea (CHEBI:94858) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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