4-decoxy-6-[[6-[[4-decoxy-6-[[6-(phenylmethoxycarbonylamino)pyridin-2-yl]carbamoyl]pyridin-2-yl]carbonylamino]pyridin-2-yl]carbamoyl]pyridine-2-carboxylic acid

Systemtic Name: 4-decoxy-6-[[6-[[4-decoxy-6-[[6-(phenylmethoxycarbonylamino)pyridin-2-yl]carbamoyl]pyridin-2-yl]carbonylamino]pyridin-2-yl]carbamoyl]pyridine-2-carboxylic acid Openeye Name: 6-[[6-[[6-[[6-(benzyloxycarbonylamino)-2-pyridyl]carbamoyl]-4-decoxy-pyridine-2-carbonyl]amino]-2-pyridyl]carbamoyl]-4-decoxy-pyridine-2-carboxylic acid CAS Name: 4-decoxy-6-[[[6-[[[4-decoxy-6-[oxo-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]amino]methyl]-2-pyridinyl]-oxomethyl]amino]-2-pyridinyl]amino]-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: 4-decoxy-6-[[6-[[4-decoxy-6-[[6-(phenylmethoxycarbonylamino)pyridin-2-yl]carbamoyl]pyridine-2-carbonyl]amino]pyridin-2-yl]carbamoyl]pyridine-2-carboxylic acid Traditional Name: 6-[[6-[[6-[[6-(benzyloxycarbonylamino)-2-pyridyl]carbamoyl]-4-decoxy-picolinoyl]amino]-2-pyridyl]carbamoyl]-4-decoxy-picolinic acid Formula: C52H64N8O9 MolecularWeight: 945.11276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC(=NC(=C1)C(=O)NC2=NC(=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)NC4=NC(=CC=C4)NC(=O)C5=NC(=CC(=C5)OCCCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=CC(=NC(=C1)C(=O)NC2=NC(=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)NC4=NC(=CC=C4)NC(=O)C5=NC(=CC(=C5)OCCCCCCCCCC)C(=O)O

InChI

InChI=1S/C52H64N8O9/c1-3-5-7-9-11-13-15-20-30-67-38-32-40(53-41(33-38)49(62)59-46-28-23-29-47(56-46)60-52(66)69-36-37-24-18-17-19-25-37)48(61)57-44-26-22-27-45(55-44)58-50(63)42-34-39(35-43(54-42)51(64)65)68-31-21-16-14-12-10-8-6-4-2/h17-19,22-29,32-35H,3-16,20-21,30-31,36H2,1-2H3,(H,64,65)(H2,55,57,58,61,63)(H2,56,59,60,62,66)