2-(3-azanyl-2-methyl-phenyl)-2-[[2-methyl-1-(phenylmethoxycarbonylamino)propyl]-oxidanyl-phosphoryl]oxy-ethanoic acid

Systemtic Name: 2-(3-azanyl-2-methyl-phenyl)-2-[[2-methyl-1-(phenylmethoxycarbonylamino)propyl]-oxidanyl-phosphoryl]oxy-ethanoic acid Openeye Name: 2-(3-amino-2-methyl-phenyl)-2-[[1-(benzyloxycarbonylamino)-2-methyl-propyl]-hydroxy-phosphoryl]oxy-acetic acid CAS Name: 2-(3-amino-2-methylphenyl)-2-[hydroxy-[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphoryl]oxyacetic acid IUPAC Name: 2-(3-amino-2-methylphenyl)-2-[hydroxy-[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphoryl]oxyacetic acid Traditional Name: 2-(3-amino-2-methyl-phenyl)-2-[[1-(benzyloxycarbonylamino)-2-methyl-propyl]-hydroxy-phosphoryl]oxy-acetic acid Formula: C21H27N2O7P MolecularWeight: 450.422041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N)C(C(=O)O)OP(=O)(C(C(C)C)NC(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CC1=C(C=CC=C1N)C(C(=O)O)OP(=O)(C(C(C)C)NC(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C21H27N2O7P/c1-13(2)19(23-21(26)29-12-15-8-5-4-6-9-15)31(27,28)30-18(20(24)25)16-10-7-11-17(22)14(16)3/h4-11,13,18-19H,12,22H2,1-3H3,(H,23,26)(H,24,25)(H,27,28)