ethyl 2-[[2-[diethoxyphosphorylcarbonyl-(phenylmethyl)amino]-3-methyl-butanoyl]amino]ethanoate

Systemtic Name: ethyl 2-[[2-[diethoxyphosphorylcarbonyl-(phenylmethyl)amino]-3-methyl-butanoyl]amino]ethanoate Openeye Name: ethyl 2-[[2-[benzyl(diethoxyphosphorylcarbonyl)amino]-3-methyl-butanoyl]amino]acetate CAS Name: 2-[[2-[[diethoxyphosphoryl(oxo)methyl]-(phenylmethyl)amino]-3-methyl-1-oxobutyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[benzyl(diethoxyphosphorylcarbonyl)amino]-3-methylbutanoyl]amino]acetate Traditional Name: 2-[[2-[benzyl(diethoxyphosphorylcarbonyl)amino]-3-methyl-butanoyl]amino]acetic acid ethyl ester Formula: C21H33N2O7P MolecularWeight: 456.469681

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C(C(C)C)N(CC1=CC=CC=C1)C(=O)P(=O)(OCC)OCC

Isomeric SMILES

CCOC(=O)CNC(=O)C(C(C)C)N(CC1=CC=CC=C1)C(=O)P(=O)(OCC)OCC

InChI

InChI=1S/C21H33N2O7P/c1-6-28-18(24)14-22-20(25)19(16(4)5)23(15-17-12-10-9-11-13-17)21(26)31(27,29-7-2)30-8-3/h9-13,16,19H,6-8,14-15H2,1-5H3,(H,22,25)