(2S)-3-phenyl-2-[[4-[(4-thiophen-2-ylcarbonylpiperazin-1-yl)methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: (2S)-3-phenyl-2-[[4-[(4-thiophen-2-ylcarbonylpiperazin-1-yl)methyl]phenyl]carbonylamino]propanoic acid Openeye Name: (2S)-3-phenyl-2-[[4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]benzoyl]amino]propanoic acid CAS Name: (2S)-2-[[oxo-[4-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methyl]phenyl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-3-phenyl-2-[[4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]benzoyl]amino]propanoic acid Traditional Name: (2S)-3-phenyl-2-[[4-[[4-(2-thenoyl)piperazino]methyl]benzoyl]amino]propionic acid Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)C(=O)C4=CC=CS4

InChI

InChI=1S/C26H27N3O4S/c30-24(27-22(26(32)33)17-19-5-2-1-3-6-19)21-10-8-20(9-11-21)18-28-12-14-29(15-13-28)25(31)23-7-4-16-34-23/h1-11,16,22H,12-15,17-18H2,(H,27,30)(H,32,33)/t22-/m0/s1