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

Systemtic Name: (2S)-3-phenyl-2-[[4-[(4-pyrazin-2-ylcarbonylpiperazin-1-yl)methyl]phenyl]carbonylamino]propanoic acid Openeye Name: (2S)-3-phenyl-2-[[4-[[4-(pyrazine-2-carbonyl)piperazin-1-yl]methyl]benzoyl]amino]propanoic acid CAS Name: (2S)-2-[[oxo-[4-[[4-[oxo(2-pyrazinyl)methyl]-1-piperazinyl]methyl]phenyl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-3-phenyl-2-[[4-[[4-(pyrazine-2-carbonyl)piperazin-1-yl]methyl]benzoyl]amino]propanoic acid Traditional Name: (2S)-3-phenyl-2-[[4-[(4-pyrazinoylpiperazino)methyl]benzoyl]amino]propionic acid Formula: C26H27N5O4 MolecularWeight: 473.52368

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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=NC=CN=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O4/c32-24(29-22(26(34)35)16-19-4-2-1-3-5-19)21-8-6-20(7-9-21)18-30-12-14-31(15-13-30)25(33)23-17-27-10-11-28-23/h1-11,17,22H,12-16,18H2,(H,29,32)(H,34,35)/t22-/m0/s1