CHEBI:129100 - N'-(2-aminophenyl)-N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

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ChEBI Name N'-(2-aminophenyl)-N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide ChEBI ID CHEBI:129100 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 C37H47Cl2N5O5 Net Charge 0 Average Mass 712.707 Monoisotopic Mass 711.29543 InChI InChI=1S/C37H47Cl2N5O5/c1-24-20-44(25(2)23-45)37(48)19-27-18-28(41-35(46)11-5-4-6-12-36(47)42-32-10-8-7-9-31(32)40)14-16-33(27)49-34(24)22-43(3)21-26-13-15-29(38)30(39)17-26/h7-10,13-18,24-25,34,45H,4-6,11-12,19-23,40H2,1-3H3,(H,41,46)(H,42,47)/t24-,25+,34+/m0/s1 InChIKey BTOKSVPFEBLMIX-VIPXIGFPSA-N SMILES C[C@H]1CN(C(=O)CC2=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-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide (CHEBI:129100) is a aromatic amide (CHEBI:62733) N'-(2-aminophenyl)-N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide (CHEBI:129100) is a aromatic amine (CHEBI:33860) Manual Xref Database LSM-40651 LINCS View more database links