1-azanylethyl 2-[2-diethoxyphosphorylethanoyl-(phenylmethyl)amino]-5-methyl-3-oxidanylidene-hexanoate

Systemtic Name: 1-azanylethyl 2-[2-diethoxyphosphorylethanoyl-(phenylmethyl)amino]-5-methyl-3-oxidanylidene-hexanoate Openeye Name: 1-aminoethyl 2-[benzyl-(2-diethoxyphosphorylacetyl)amino]-5-methyl-3-oxo-hexanoate CAS Name: 2-[(2-diethoxyphosphoryl-1-oxoethyl)-(phenylmethyl)amino]-5-methyl-3-oxohexanoic acid 1-aminoethyl ester IUPAC Name: 1-aminoethyl 2-[benzyl-(2-diethoxyphosphorylacetyl)amino]-5-methyl-3-oxohexanoate Traditional Name: 2-[benzyl-(2-diethoxyphosphorylacetyl)amino]-3-keto-5-methyl-hexanoic acid 1-aminoethyl ester Formula: C22H35N2O7P MolecularWeight: 470.496261

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC(=O)N(CC1=CC=CC=C1)C(C(=O)CC(C)C)C(=O)OC(C)N)OCC

Isomeric SMILES

CCOP(=O)(CC(=O)N(CC1=CC=CC=C1)C(C(=O)CC(C)C)C(=O)OC(C)N)OCC

InChI

InChI=1S/C22H35N2O7P/c1-6-29-32(28,30-7-2)15-20(26)24(14-18-11-9-8-10-12-18)21(19(25)13-16(3)4)22(27)31-17(5)23/h8-12,16-17,21H,6-7,13-15,23H2,1-5H3