CHEBI:129795 - N'-(2-aminophenyl)-N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]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-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]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:129795
Stars This entity has been manually annotated by a third party.
Supplier Information ChemicalBook:CB0331386, eMolecules:494663, ZINC000006920382
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Formula C37H55N5O5
Net Charge 0
Average Mass 649.865
Monoisotopic Mass 649.42032
InChI InChI=1S/C37H55N5O5/c1-26-22-42(27(2)25-43)37(46)21-29-20-30(18-19-33(29)47-34(26)24-41(3)23-28-12-6-4-7-13-28)39-35(44)16-8-5-9-17-36(45)40-32-15-11-10-14-31(32)38/h10-11,14-15,18-20,26-28,34,43H,4-9,12-13,16-17,21-25,38H2,1-3H3,(H,39,44)(H,40,45)/t26-,27-,34+/m1/s1
InChIKey GJYWPGQZJRIMRE-NCXXJVAISA-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)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 )
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ChEBI Ontology
Outgoing N'-(2-aminophenyl)-N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide (CHEBI:129795) is a aromatic amide (CHEBI:62733)
N'-(2-aminophenyl)-N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide (CHEBI:129795) is a aromatic amine (CHEBI:33860)
Manual Xref Database
LSM-41346 LINCS
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