CHEBI:128567 - N-(2-aminophenyl)-N'-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]heptanediamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name N-(2-aminophenyl)-N'-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]heptanediamide ChEBI ID CHEBI:128567 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 C36H53N5O5 Net Charge 0 Average Mass 635.838 Monoisotopic Mass 635.40467 InChI InChI=1S/C36H53N5O5/c1-25-21-41(26(2)24-42)36(45)28-15-12-18-31(35(28)46-32(25)23-40(3)22-27-13-6-4-7-14-27)39-34(44)20-9-5-8-19-33(43)38-30-17-11-10-16-29(30)37/h10-12,15-18,25-27,32,42H,4-9,13-14,19-24,37H2,1-3H3,(H,38,43)(H,39,44)/t25-,26+,32+/m0/s1 InChIKey GHZMXVOCHVGOQG-NSTRGFCRSA-N SMILES C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)CCCCCC(=O)NC3=CC=CC=C3N)O[C@@H]1CN(C)CC4CCCCC4)[C@H](C)CO Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing N-(2-aminophenyl)-N'-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]heptanediamide (CHEBI:128567) is a aromatic amide (CHEBI:62733) N-(2-aminophenyl)-N'-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]heptanediamide (CHEBI:128567) is a aromatic amine (CHEBI:33860) Manual Xref Database LSM-40121 LINCS View more database links