2-[1-[[2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]propyl]-5-phenethyl-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[1-[[2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]propyl]-5-phenethyl-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[1-[[2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]propyl]-5-phenethyl-thiazole-4-carboxylic acid CAS Name: 2-[1-[[2-acetamido-1-oxo-3-(4-phosphonooxyphenyl)propyl]amino]propyl]-5-phenethyl-4-thiazolecarboxylic acid IUPAC Name: 2-[1-[[2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]propyl]-5-phenethyl-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[1-[[2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]propyl]-5-phenethyl-thiazole-4-carboxylic acid Formula: C26H30N3O8PS MolecularWeight: 575.570461

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC(=C(S1)CCC2=CC=CC=C2)C(=O)O)NC(=O)C(CC3=CC=C(C=C3)OP(=O)(O)O)NC(=O)C

Isomeric SMILES

CCC(C1=NC(=C(S1)CCC2=CC=CC=C2)C(=O)O)NC(=O)C(CC3=CC=C(C=C3)OP(=O)(O)O)NC(=O)C

InChI

InChI=1S/C26H30N3O8PS/c1-3-20(25-29-23(26(32)33)22(39-25)14-11-17-7-5-4-6-8-17)28-24(31)21(27-16(2)30)15-18-9-12-19(13-10-18)37-38(34,35)36/h4-10,12-13,20-21H,3,11,14-15H2,1-2H3,(H,27,30)(H,28,31)(H,32,33)(H2,34,35,36)