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2-cyclohexyl-2-[[4-[2-[[3-(4-nitrophenyl)-3-phenyl-propyl]carbamoyl]-6-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl-pyridin-4-yl]-6-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl-pyridin-2-yl]carbonylamino]ethanoic acid
2-cyclohexyl-2-[[4-[2-[[3-(4-nitrophenyl)-3-phenyl-propyl]carbamoyl]-6-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl-pyridin-4-yl]-6-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl-pyridin-2-yl]carbonylamino]ethanoic acid
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Descriptors Computed from Structure
Canonical SMILES:
C1CCC(CC1)C(C(=O)O)NC(=O)C2=CC(=CC(=N2)C(=O)N3CCCC3CN4CCCC4)C5=CC(=NC(=C5)C(=O)NCCC(C6=CC=CC=C6)C7=CC=C(C=C7)[N+](=O)[O-])C(=O)N8CCCC8CN9CCCC9
Isomeric SMILES
C1CCC(CC1)C(C(=O)O)NC(=O)C2=CC(=CC(=N2)C(=O)N3CCCC3CN4CCCC4)C5=CC(=NC(=C5)C(=O)NCCC(C6=CC=CC=C6)C7=CC=C(C=C7)[N+](=O)[O-])C(=O)N8CCCC8CN9CCCC9
InChI
InChI=1S/C55H67N9O8/c65-51(56-24-23-45(37-13-3-1-4-14-37)38-19-21-42(22-20-38)64(71)72)46-31-40(33-48(57-46)53(67)62-29-11-17-43(62)35-60-25-7-8-26-60)41-32-47(52(66)59-50(55(69)70)39-15-5-2-6-16-39)58-49(34-41)54(68)63-30-12-18-44(63)36-61-27-9-10-28-61/h1,3-4,13-14,19-22,31-34,39,43-45,50H,2,5-12,15-18,23-30,35-36H2,(H,56,65)(H,59,66)(H,69,70)
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