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

Systemtic Name: methyl 2-[2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-6-(2-azanylpropanoylamino)hexanoate Openeye Name: methyl 2-[2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-6-(2-aminopropanoylamino)hexanoate CAS Name: 2-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]-6-[(2-amino-1-oxopropyl)amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-6-(2-aminopropanoylamino)hexanoate Traditional Name: 6-(alanylamino)-2-[2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]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)C(CCCCNC(=O)C(C)N)C(=O)OC)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)C(CCCCNC(=O)C(C)N)C(=O)OC)N)C)O

InChI

InChI=1S/C21H33N3O5/c1-12-9-15(25)10-13(2)17(12)11-18(23)19(26)16(21(28)29-4)7-5-6-8-24-20(27)14(3)22/h9-10,14,16,18,25H,5-8,11,22-23H2,1-4H3,(H,24,27)