[1-(2-azanylpropanoylamino)-2-(3,4-dimethoxyphenyl)ethyl]phosphonic acid

Systemtic Name: [1-(2-azanylpropanoylamino)-2-(3,4-dimethoxyphenyl)ethyl]phosphonic acid Openeye Name: [1-(2-aminopropanoylamino)-2-(3,4-dimethoxyphenyl)ethyl]phosphonic acid CAS Name: [1-[(2-amino-1-oxopropyl)amino]-2-(3,4-dimethoxyphenyl)ethyl]phosphonic acid IUPAC Name: [1-(2-aminopropanoylamino)-2-(3,4-dimethoxyphenyl)ethyl]phosphonic acid Traditional Name: [1-(alanylamino)-2-(3,4-dimethoxyphenyl)ethyl]phosphonic acid Formula: C13H21N2O6P MolecularWeight: 332.289401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC(=C(C=C1)OC)OC)P(=O)(O)O)N

Isomeric SMILES

CC(C(=O)NC(CC1=CC(=C(C=C1)OC)OC)P(=O)(O)O)N

InChI

InChI=1S/C13H21N2O6P/c1-8(14)13(16)15-12(22(17,18)19)7-9-4-5-10(20-2)11(6-9)21-3/h4-6,8,12H,7,14H2,1-3H3,(H,15,16)(H2,17,18,19)