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

Systemtic Name: [1-[(2-azanyl-3-methyl-pentanoyl)amino]-2-(4-phenylmethoxyphenyl)ethyl]phosphonic acid Openeye Name: [1-[(2-amino-3-methyl-pentanoyl)amino]-2-(4-benzyloxyphenyl)ethyl]phosphonic acid CAS Name: [1-[(2-amino-3-methyl-1-oxopentyl)amino]-2-(4-phenylmethoxyphenyl)ethyl]phosphonic acid IUPAC Name: [1-[(2-amino-3-methylpentanoyl)amino]-2-(4-phenylmethoxyphenyl)ethyl]phosphonic acid Traditional Name: [1-[(2-amino-3-methyl-pentanoyl)amino]-2-(4-benzoxyphenyl)ethyl]phosphonic acid Formula: C21H29N2O5P MolecularWeight: 420.439121

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)P(=O)(O)O)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)P(=O)(O)O)N

InChI

InChI=1S/C21H29N2O5P/c1-3-15(2)20(22)21(24)23-19(29(25,26)27)13-16-9-11-18(12-10-16)28-14-17-7-5-4-6-8-17/h4-12,15,19-20H,3,13-14,22H2,1-2H3,(H,23,24)(H2,25,26,27)