(4-ethynylphenyl) N-[1-[4-[[1-[[2-[[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]amino]-1,2-bis(oxidanylidene)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (4-ethynylphenyl) N-[1-[4-[[1-[[2-[[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]amino]-1,2-bis(oxidanylidene)hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: (4-ethynylphenyl) N-[1-[4-[1-[2-[[2-[[2-(dimethylamino)-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-acetyl]butylcarbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2,2-dimethyl-propyl]carbamate CAS Name: N-[1-[4-[[[1-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-oxomethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid (4-ethynylphenyl) ester IUPAC Name: (4-ethynylphenyl) N-[1-[4-[[1-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[4-[1-[2-[[2-[[2-(dimethylamino)-2-keto-1-phenyl-ethyl]amino]-2-keto-ethyl]amino]-2-keto-acetyl]butylcarbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2,2-dimethyl-propyl]carbamic acid (4-ethynylphenyl) ester Formula: C41H52N6O8 MolecularWeight: 756.88698

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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)C2C3C(C3(C)C)CN2C(=O)C(C(C)(C)C)NC(=O)OC4=CC=C(C=C4)C#C

Isomeric SMILES

CCCC(C(=O)C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)N(C)C)NC(=O)C2C3C(C3(C)C)CN2C(=O)C(C(C)(C)C)NC(=O)OC4=CC=C(C=C4)C#C

InChI

InChI=1S/C41H52N6O8/c1-10-15-28(33(49)36(51)42-22-29(48)44-31(37(52)46(8)9)25-16-13-12-14-17-25)43-35(50)32-30-27(41(30,6)7)23-47(32)38(53)34(40(3,4)5)45-39(54)55-26-20-18-24(11-2)19-21-26/h2,12-14,16-21,27-28,30-32,34H,10,15,22-23H2,1,3-9H3,(H,42,51)(H,43,50)(H,44,48)(H,45,54)