4-[[[(2R)-2-[(4-tert-butylphenyl)carbonylamino]propanoyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[(2R)-2-[(4-tert-butylphenyl)carbonylamino]propanoyl]amino]methyl]benzoic acid Openeye Name: 4-[[[(2R)-2-[(4-tert-butylbenzoyl)amino]propanoyl]amino]methyl]benzoic acid CAS Name: 4-[[[(2R)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[(2R)-2-[(4-tert-butylbenzoyl)amino]propanoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[(2R)-2-[(4-tert-butylbenzoyl)amino]propanoyl]amino]methyl]benzoic acid Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H26N2O4/c1-14(19(25)23-13-15-5-7-17(8-6-15)21(27)28)24-20(26)16-9-11-18(12-10-16)22(2,3)4/h5-12,14H,13H2,1-4H3,(H,23,25)(H,24,26)(H,27,28)/t14-/m1/s1