(2S)-2-[[3-[(4-phenylbutanoylamino)methyl]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[3-[(4-phenylbutanoylamino)methyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[3-[(4-phenylbutanoylamino)methyl]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[oxo-[3-[[(1-oxo-4-phenylbutyl)amino]methyl]phenyl]methyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[3-[(4-phenylbutanoylamino)methyl]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[3-[(4-phenylbutanoylamino)methyl]benzoyl]amino]glutaric acid Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=O)NCC2=CC=CC(=C2)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(=O)NCC2=CC=CC(=C2)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C23H26N2O6/c26-20(11-5-8-16-6-2-1-3-7-16)24-15-17-9-4-10-18(14-17)22(29)25-19(23(30)31)12-13-21(27)28/h1-4,6-7,9-10,14,19H,5,8,11-13,15H2,(H,24,26)(H,25,29)(H,27,28)(H,30,31)/t19-/m0/s1