3-[2-[5-(1H-benzimidazol-2-ylamino)pentanoylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[2-[5-(1H-benzimidazol-2-ylamino)pentanoylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[2-[5-(1H-benzimidazol-2-ylamino)pentanoylamino]acetyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[2-[[5-(1H-benzimidazol-2-ylamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[2-[5-(1H-benzimidazol-2-ylamino)pentanoylamino]acetyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-[5-(1H-benzimidazol-2-ylamino)pentanoylamino]acetyl]amino]-3-(3-pyridyl)propionic acid Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)NCCCCC(=O)NCC(=O)NC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)NCCCCC(=O)NCC(=O)NC(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C22H26N6O4/c29-19(9-3-4-11-24-22-27-16-7-1-2-8-17(16)28-22)25-14-20(30)26-18(12-21(31)32)15-6-5-10-23-13-15/h1-2,5-8,10,13,18H,3-4,9,11-12,14H2,(H,25,29)(H,26,30)(H,31,32)(H2,24,27,28)