(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]pentanedioate

Systemtic Name: (2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]pentanedioate Openeye Name: (2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]pentanedioate CAS Name: (2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)-1-oxopropyl]amino]pentanedioate IUPAC Name: (2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]pentanedioate Traditional Name: (2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]glutarate Formula: C16H18N2O7-2 MolecularWeight: 350.32332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O7/c1-9(19)17-13(8-10-2-4-11(20)5-3-10)15(23)18-12(16(24)25)6-7-14(21)22/h2-5,12-13,20H,6-8H2,1H3,(H,17,19)(H,18,23)(H,21,22)(H,24,25)/p-2/t12-,13-/m0/s1