4-[[2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-(4-propan-2-yl-1,3-thiazol-2-yl)butanoic acid

Systemtic Name: 4-[[2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-(4-propan-2-yl-1,3-thiazol-2-yl)butanoic acid Openeye Name: 4-[[2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-(4-isopropylthiazol-2-yl)butanoic acid CAS Name: 4-[[2-acetamido-1-oxo-3-(4-phosphonooxyphenyl)propyl]amino]-4-(4-propan-2-yl-2-thiazolyl)butanoic acid IUPAC Name: 4-[[2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-(4-propan-2-yl-1,3-thiazol-2-yl)butanoic acid Traditional Name: 4-[[2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-(4-isopropylthiazol-2-yl)butyric acid Formula: C21H28N3O8PS MolecularWeight: 513.501081

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CSC(=N1)C(CCC(=O)O)NC(=O)C(CC2=CC=C(C=C2)OP(=O)(O)O)NC(=O)C

Isomeric SMILES

CC(C)C1=CSC(=N1)C(CCC(=O)O)NC(=O)C(CC2=CC=C(C=C2)OP(=O)(O)O)NC(=O)C

InChI

InChI=1S/C21H28N3O8PS/c1-12(2)18-11-34-21(24-18)16(8-9-19(26)27)23-20(28)17(22-13(3)25)10-14-4-6-15(7-5-14)32-33(29,30)31/h4-7,11-12,16-17H,8-10H2,1-3H3,(H,22,25)(H,23,28)(H,26,27)(H2,29,30,31)