(2S)-2-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]pentanedioic acid Openeye Name: (2S)-2-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[(2S)-2-acetamido-1-oxo-3-(4-phosphonooxyphenyl)propyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]glutaric acid Formula: C16H21N2O10P MolecularWeight: 432.319101

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C16H21N2O10P/c1-9(19)17-13(15(22)18-12(16(23)24)6-7-14(20)21)8-10-2-4-11(5-3-10)28-29(25,26)27/h2-5,12-13H,6-8H2,1H3,(H,17,19)(H,18,22)(H,20,21)(H,23,24)(H2,25,26,27)/t12-,13-/m0/s1