3-[[3-azanyl-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-(4-fluorophenyl)propanoic acid

Systemtic Name: 3-[[3-azanyl-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-(4-fluorophenyl)propanoic acid Openeye Name: 3-[[3-amino-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(4-fluorophenyl)propanoic acid CAS Name: 3-[[[3-amino-4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(4-fluorophenyl)propanoic acid IUPAC Name: 3-[[3-amino-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(4-fluorophenyl)propanoic acid Traditional Name: 3-[[3-amino-4-(4-nicotinoylpiperazino)benzoyl]amino]-3-(4-fluorophenyl)propionic acid Formula: C26H26FN5O4 MolecularWeight: 491.514143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)N)C(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)N)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C26H26FN5O4/c27-20-6-3-17(4-7-20)22(15-24(33)34)30-25(35)18-5-8-23(21(28)14-18)31-10-12-32(13-11-31)26(36)19-2-1-9-29-16-19/h1-9,14,16,22H,10-13,15,28H2,(H,30,35)(H,33,34)