(3R)-N-(1,7-diphenylheptan-4-yl)-2-[2-[4-[4-[2-[(3S)-3-(1,7-diphenylheptan-4-ylcarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-oxidanylidene-ethanoyl]phenyl]phenyl]-2-oxidanylidene-ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-N-(1,7-diphenylheptan-4-yl)-2-[2-[4-[4-[2-[(3S)-3-(1,7-diphenylheptan-4-ylcarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-oxidanylidene-ethanoyl]phenyl]phenyl]-2-oxidanylidene-ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-[2-oxo-2-[4-[4-[2-oxo-2-[(3S)-3-[[4-phenyl-1-(3-phenylpropyl)butyl]carbamoyl]tetralin-2-yl]acetyl]phenyl]phenyl]acetyl]-N-[4-phenyl-1-(3-phenylpropyl)butyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-N-(1,7-diphenylheptan-4-yl)-2-[2-[4-[4-[2-[(3S)-3-[(1,7-diphenylheptan-4-ylamino)-oxomethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1,2-dioxoethyl]phenyl]phenyl]-1,2-dioxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-(1,7-diphenylheptan-4-yl)-2-[2-[4-[4-[2-[(3S)-3-(1,7-diphenylheptan-4-ylcarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-oxoacetyl]phenyl]phenyl]-2-oxoacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-[2-keto-2-[4-[4-[2-keto-2-[(3S)-3-[[4-phenyl-1-(3-phenylpropyl)butyl]carbamoyl]tetralin-2-yl]acetyl]phenyl]phenyl]acetyl]-N-[4-phenyl-1-(3-phenylpropyl)butyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C75H75N3O6 MolecularWeight: 1114.4145

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CC2=CC=CC=C21)C(=O)NC(CCCC3=CC=CC=C3)CCCC4=CC=CC=C4)C(=O)C(=O)C5=CC=C(C=C5)C6=CC=C(C=C6)C(=O)C(=O)N7CC8=CC=CC=C8CC7C(=O)NC(CCCC9=CC=CC=C9)CCCC1=CC=CC=C1

Isomeric SMILES

C1[C@@H](C(CC2=CC=CC=C21)C(=O)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)C(=O)N5CC6=CC=CC=C6C[C@@H]5C(=O)NC(CCCC7=CC=CC=C7)CCCC8=CC=CC=C8)C(=O)NC(CCCC9=CC=CC=C9)CCCC1=CC=CC=C1

InChI

InChI=1S/C75H75N3O6/c79-70(72(81)67-49-61-33-13-14-34-62(61)50-68(67)73(82)76-65(37-17-29-53-21-5-1-6-22-53)38-18-30-54-23-7-2-8-24-54)59-45-41-57(42-46-59)58-43-47-60(48-44-58)71(80)75(84)78-52-64-36-16-15-35-63(64)51-69(78)74(83)77-66(39-19-31-55-25-9-3-10-26-55)40-20-32-56-27-11-4-12-28-56/h1-16,21-28,33-36,41-48,65-69H,17-20,29-32,37-40,49-52H2,(H,76,82)(H,77,83)/t67?,68-,69+/m0/s1