CHEBI:113744 - N-[(2S,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name N-[(2S,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide ChEBI ID CHEBI:113744 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C32H36N4O7 Net Charge 0 Average Mass 588.652 Monoisotopic Mass 588.25840 InChI InChI=1S/C32H36N4O7/c1-20-16-36(21(2)18-37)31(39)25-14-23(33-30(38)13-22-7-5-4-6-8-22)9-11-26(25)43-29(20)17-35(3)32(40)34-24-10-12-27-28(15-24)42-19-41-27/h4-12,14-15,20-21,29,37H,13,16-19H2,1-3H3,(H,33,38)(H,34,40)/t20-,21-,29+/m0/s1 InChIKey UVTNCBQHXJQZIN-LRZFZUCMSA-N SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@@H]1CN(C)C(=O)NC4=CC5=C(C=C4)OCO5)[C@@H](C)CO ChEBI Ontology Outgoing N-[(2S,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide (CHEBI:113744) is a acetamides (CHEBI:22160) Manual Xref Database LSM-25176 LINCS View more database links