CHEBI:130302 - N'-(2-aminophenyl)-N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide

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ChEBI Name N'-(2-aminophenyl)-N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide ChEBI ID CHEBI:130302 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 C36H45Cl2N5O5 Net Charge 0 Average Mass 698.680 Monoisotopic Mass 697.27977 InChI InChI=1S/C36H45Cl2N5O5/c1-23-19-43(24(2)22-44)36(47)27-18-26(40-34(45)11-5-4-6-12-35(46)41-31-10-8-7-9-30(31)39)14-16-32(27)48-33(23)21-42(3)20-25-13-15-28(37)29(38)17-25/h7-10,13-18,23-24,33,44H,4-6,11-12,19-22,39H2,1-3H3,(H,40,45)(H,41,46)/t23-,24+,33-/m0/s1 InChIKey QAVYVNAGSVFDOJ-LOTJKCTMSA-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)CC4=CC(=C(C=C4)Cl)Cl)[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-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide (CHEBI:130302) is a aromatic amide (CHEBI:62733) N'-(2-aminophenyl)-N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide (CHEBI:130302) is a aromatic amine (CHEBI:33860) Manual Xref Database LSM-41851 LINCS View more database links