2-azanyl-3-[[4-[4-(1H-benzimidazol-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 2-azanyl-3-[[4-[4-(1H-benzimidazol-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoic acid Openeye Name: 2-amino-3-[[4-[4-(1H-benzimidazol-2-ylamino)-1-piperidyl]benzoyl]amino]propanoic acid CAS Name: 2-amino-3-[[[4-[4-(1H-benzimidazol-2-ylamino)-1-piperidinyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-amino-3-[[4-[4-(1H-benzimidazol-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid Traditional Name: 2-amino-3-[[4-[4-(1H-benzimidazol-2-ylamino)piperidino]benzoyl]amino]propionic acid Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC3=CC=CC=C3N2)C4=CC=C(C=C4)C(=O)NCC(C(=O)O)N

Isomeric SMILES

C1CN(CCC1NC2=NC3=CC=CC=C3N2)C4=CC=C(C=C4)C(=O)NCC(C(=O)O)N

InChI

InChI=1S/C22H26N6O3/c23-17(21(30)31)13-24-20(29)14-5-7-16(8-6-14)28-11-9-15(10-12-28)25-22-26-18-3-1-2-4-19(18)27-22/h1-8,15,17H,9-13,23H2,(H,24,29)(H,30,31)(H2,25,26,27)