2-[[3-(4-methoxyphenyl)-2-[[4-methyl-2-(1-phosphonoethylamino)pentanoyl]amino]propanoyl]amino]propanoic acid

Systemtic Name: 2-[[3-(4-methoxyphenyl)-2-[[4-methyl-2-(1-phosphonoethylamino)pentanoyl]amino]propanoyl]amino]propanoic acid Openeye Name: 2-[[3-(4-methoxyphenyl)-2-[[4-methyl-2-(1-phosphonoethylamino)pentanoyl]amino]propanoyl]amino]propanoic acid CAS Name: 2-[[3-(4-methoxyphenyl)-2-[[4-methyl-1-oxo-2-(1-phosphonoethylamino)pentyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[[3-(4-methoxyphenyl)-2-[[4-methyl-2-(1-phosphonoethylamino)pentanoyl]amino]propanoyl]amino]propanoic acid Traditional Name: 2-[[3-(4-methoxyphenyl)-2-[[4-methyl-2-(1-phosphonoethylamino)pentanoyl]amino]propanoyl]amino]propionic acid Formula: C21H34N3O8P MolecularWeight: 487.483721

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)OC)C(=O)NC(C)C(=O)O)NC(C)P(=O)(O)O

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)OC)C(=O)NC(C)C(=O)O)NC(C)P(=O)(O)O

InChI

InChI=1S/C21H34N3O8P/c1-12(2)10-17(23-14(4)33(29,30)31)20(26)24-18(19(25)22-13(3)21(27)28)11-15-6-8-16(32-5)9-7-15/h6-9,12-14,17-18,23H,10-11H2,1-5H3,(H,22,25)(H,24,26)(H,27,28)(H2,29,30,31)