ethanoic acid; (phenylmethyl) 2-[[(2-azanylethanoylamino)methyl-ethoxy-phosphoryl]methyl]-4-methyl-pentanoate

Systemtic Name: ethanoic acid; (phenylmethyl) 2-[[(2-azanylethanoylamino)methyl-ethoxy-phosphoryl]methyl]-4-methyl-pentanoate Openeye Name: acetic acid; benzyl 2-[[[(2-aminoacetyl)amino]methyl-ethoxy-phosphoryl]methyl]-4-methyl-pentanoate CAS Name: acetic acid; 2-[[[(2-amino-1-oxoethyl)amino]methyl-ethoxyphosphoryl]methyl]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: acetic acid; benzyl 2-[[[(2-aminoacetyl)amino]methyl-ethoxyphosphoryl]methyl]-4-methylpentanoate Traditional Name: acetic acid; 2-[[ethoxy-[(glycylamino)methyl]phosphoryl]methyl]-4-methyl-valeric acid benzyl ester Formula: C21H35N2O7P MolecularWeight: 458.485561

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC(CC(C)C)C(=O)OCC1=CC=CC=C1)CNC(=O)CN.CC(=O)O

Isomeric SMILES

CCOP(=O)(CC(CC(C)C)C(=O)OCC1=CC=CC=C1)CNC(=O)CN.CC(=O)O

InChI

InChI=1S/C19H31N2O5P.C2H4O2/c1-4-26-27(24,14-21-18(22)11-20)13-17(10-15(2)3)19(23)25-12-16-8-6-5-7-9-16;1-2(3)4/h5-9,15,17H,4,10-14,20H2,1-3H3,(H,21,22);1H3,(H,3,4)