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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

ChEBI IDCHEBI:129100
ChEBI NameN'-(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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DownloadsMolfile
FormulaC37H47Cl2N5O5
Net Charge0
Average Mass712.719
Monoisotopic Mass711.29542
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O
InChIInChI=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
InChIKeyBTOKSVPFEBLMIX-VIPXIGFPSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
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)
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