2-methylpropyl N-[1-cyclohexyl-2-[2-[[1-[[2-[[2-[2-hydroxyethyl(methyl)amino]-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]-2-oxidanylidene-ethyl]carbamate

Systemtic Name: 2-methylpropyl N-[1-cyclohexyl-2-[2-[[1-[[2-[[2-[2-hydroxyethyl(methyl)amino]-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]-2-oxidanylidene-ethyl]carbamate Openeye Name: isobutyl N-[1-cyclohexyl-2-[2-[1-[2-[[2-[[2-[2-hydroxyethyl(methyl)amino]-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-acetyl]butylcarbamoyl]-6,10-dithia-3-azaspiro[4.5]decan-3-yl]-2-oxo-ethyl]carbamate CAS Name: N-[1-cyclohexyl-2-[2-[[[1-[[2-[[2-[2-hydroxyethyl(methyl)amino]-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]-2-oxoethyl]carbamic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-[1-cyclohexyl-2-[2-[[1-[[2-[[2-[2-hydroxyethyl(methyl)amino]-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-6,10-dithia-3-azaspiro[4.5]decan-3-yl]-2-oxoethyl]carbamate Traditional Name: N-[1-cyclohexyl-2-[2-[1-[2-[[2-[[2-[2-hydroxyethyl(methyl)amino]-2-keto-1-phenyl-ethyl]amino]-2-keto-ethyl]amino]-2-keto-acetyl]butylcarbamoyl]-6,10-dithia-3-azaspiro[4.5]decan-3-yl]-2-keto-ethyl]carbamic acid isobutyl ester Formula: C40H60N6O9S2 MolecularWeight: 833.0692

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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)CCO)NC(=O)C2CC3(CN2C(=O)C(C4CCCCC4)NC(=O)OCC(C)C)SCCCS3

Isomeric SMILES

CCCC(C(=O)C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)N(C)CCO)NC(=O)C2CC3(CN2C(=O)C(C4CCCCC4)NC(=O)OCC(C)C)SCCCS3

InChI

InChI=1S/C40H60N6O9S2/c1-5-13-29(34(49)36(51)41-23-31(48)43-32(27-14-8-6-9-15-27)37(52)45(4)18-19-47)42-35(50)30-22-40(56-20-12-21-57-40)25-46(30)38(53)33(28-16-10-7-11-17-28)44-39(54)55-24-26(2)3/h6,8-9,14-15,26,28-30,32-33,47H,5,7,10-13,16-25H2,1-4H3,(H,41,51)(H,42,50)(H,43,48)(H,44,54)