2-[2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-N-[3-[5-[3-[[2-[2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]propyl]-6-oxidanylidene-1H-pyrazin-2-yl]propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-N-[3-[5-[3-[[2-[2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]propyl]-6-oxidanylidene-1H-pyrazin-2-yl]propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-N-[3-[5-[3-[[2-[2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]propyl]-6-oxo-1H-pyrazin-2-yl]propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]-N-[3-[5-[3-[[[2-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]propyl]-6-oxo-1H-pyrazin-2-yl]propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-N-[3-[5-[3-[[2-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]propyl]-6-oxo-1H-pyrazin-2-yl]propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-N-[3-[5-[3-[[2-[2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]propyl]-6-keto-1H-pyrazin-2-yl]propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C52H62N8O7 MolecularWeight: 911.09808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)NCCCC4=CN=C(C(=O)N4)CCCNC(=O)C5CC6=CC=CC=C6CN5C(=O)C(CC7=C(C=C(C=C7C)O)C)N)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)NCCCC4=CN=C(C(=O)N4)CCCNC(=O)C5CC6=CC=CC=C6CN5C(=O)C(CC7=C(C=C(C=C7C)O)C)N)N)C)O

InChI

InChI=1S/C52H62N8O7/c1-30-19-39(61)20-31(2)41(30)25-43(53)51(66)59-28-36-13-7-5-11-34(36)23-46(59)49(64)55-17-9-15-38-27-57-45(48(63)58-38)16-10-18-56-50(65)47-24-35-12-6-8-14-37(35)29-60(47)52(67)44(54)26-42-32(3)21-40(62)22-33(42)4/h5-8,11-14,19-22,27,43-44,46-47,61-62H,9-10,15-18,23-26,28-29,53-54H2,1-4H3,(H,55,64)(H,56,65)(H,58,63)