[1-[(2-azanyl-4-methyl-pentanoyl)amino]-2-(3,4-dimethoxyphenyl)ethyl]phosphonic acid

Systemtic Name: [1-[(2-azanyl-4-methyl-pentanoyl)amino]-2-(3,4-dimethoxyphenyl)ethyl]phosphonic acid Openeye Name: [1-[(2-amino-4-methyl-pentanoyl)amino]-2-(3,4-dimethoxyphenyl)ethyl]phosphonic acid CAS Name: [1-[(2-amino-4-methyl-1-oxopentyl)amino]-2-(3,4-dimethoxyphenyl)ethyl]phosphonic acid IUPAC Name: [1-[(2-amino-4-methylpentanoyl)amino]-2-(3,4-dimethoxyphenyl)ethyl]phosphonic acid Traditional Name: [1-[(2-amino-4-methyl-pentanoyl)amino]-2-(3,4-dimethoxyphenyl)ethyl]phosphonic acid Formula: C16H27N2O6P MolecularWeight: 374.369141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N2O6P/c1-10(2)7-12(17)16(19)18-15(25(20,21)22)9-11-5-6-13(23-3)14(8-11)24-4/h5-6,8,10,12,15H,7,9,17H2,1-4H3,(H,18,19)(H2,20,21,22)