2-methylpropyl N-[3-[(4-tert-butylphenyl)methoxy]-1-[2-[[1-[[2-[[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]amino]-1,2-bis(oxidanylidene)hexan-3-yl]carbamoyl]-6,10-dithia-3-azaspiro[4.5]decan-3-yl]-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: 2-methylpropyl N-[3-[(4-tert-butylphenyl)methoxy]-1-[2-[[1-[[2-[[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]amino]-1,2-bis(oxidanylidene)hexan-3-yl]carbamoyl]-6,10-dithia-3-azaspiro[4.5]decan-3-yl]-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: isobutyl N-[2-[(4-tert-butylphenyl)methoxy]-1-[2-[1-[2-[[2-[[2-(dimethylamino)-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-acetyl]butylcarbamoyl]-6,10-dithia-3-azaspiro[4.5]decane-3-carbonyl]propyl]carbamate CAS Name: N-[3-[(4-tert-butylphenyl)methoxy]-1-[2-[[[1-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-oxomethyl]-6,10-dithia-3-azaspiro[4.5]decan-3-yl]-1-oxobutan-2-yl]carbamic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-[3-[(4-tert-butylphenyl)methoxy]-1-[2-[[1-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-6,10-dithia-3-azaspiro[4.5]decan-3-yl]-1-oxobutan-2-yl]carbamate Traditional Name: N-[2-(4-tert-butylbenzyl)oxy-1-[2-[1-[2-[[2-[[2-(dimethylamino)-2-keto-1-phenyl-ethyl]amino]-2-keto-ethyl]amino]-2-keto-acetyl]butylcarbamoyl]-6,10-dithia-3-azaspiro[4.5]decane-3-carbonyl]propyl]carbamic acid isobutyl ester Formula: C46H66N6O9S2 MolecularWeight: 911.18104

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)N(C)C)NC(=O)C2CC3(CN2C(=O)C(C(C)OCC4=CC=C(C=C4)C(C)(C)C)NC(=O)OCC(C)C)SCCCS3

Isomeric SMILES

CCCC(C(=O)C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)N(C)C)NC(=O)C2CC3(CN2C(=O)C(C(C)OCC4=CC=C(C=C4)C(C)(C)C)NC(=O)OCC(C)C)SCCCS3

InChI

InChI=1S/C46H66N6O9S2/c1-10-15-34(39(54)41(56)47-25-36(53)49-38(42(57)51(8)9)32-16-12-11-13-17-32)48-40(55)35-24-46(62-22-14-23-63-46)28-52(35)43(58)37(50-44(59)61-26-29(2)3)30(4)60-27-31-18-20-33(21-19-31)45(5,6)7/h11-13,16-21,29-30,34-35,37-38H,10,14-15,22-28H2,1-9H3,(H,47,56)(H,48,55)(H,49,53)(H,50,59)