methyl 6-[2-[[2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]amino]propanoylamino]hexanoate

Systemtic Name: methyl 6-[2-[[2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]amino]propanoylamino]hexanoate Openeye Name: methyl 6-[2-[[2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]amino]propanoylamino]hexanoate CAS Name: 6-[[2-[[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[2-[[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]propanoylamino]hexanoate Traditional Name: 6-[2-[[2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]amino]propanoylamino]hexanoic acid methyl ester Formula: C21H33N3O5 MolecularWeight: 407.50382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)NC(C)C(=O)NCCCCCC(=O)OC)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)NC(C)C(=O)NCCCCCC(=O)OC)N)C)O

InChI

InChI=1S/C21H33N3O5/c1-13-10-16(25)11-14(2)17(13)12-18(22)21(28)24-15(3)20(27)23-9-7-5-6-8-19(26)29-4/h10-11,15,18,25H,5-9,12,22H2,1-4H3,(H,23,27)(H,24,28)