3-[2-(1-adamantylcarbamoylamino)-2-cyclohexyl-ethanoyl]-N-[1,2-bis(oxidanylidene)-1-[[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]amino]hept-6-en-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide

Systemtic Name: 3-[2-(1-adamantylcarbamoylamino)-2-cyclohexyl-ethanoyl]-N-[1,2-bis(oxidanylidene)-1-[[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]amino]hept-6-en-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Openeye Name: 3-[2-(1-adamantylcarbamoylamino)-2-cyclohexyl-acetyl]-N-[1-[2-[[2-(benzylamino)-2-oxo-ethyl]amino]-2-oxo-acetyl]pent-4-enyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide CAS Name: 3-[2-[[(1-adamantylamino)-oxomethyl]amino]-2-cyclohexyl-1-oxoethyl]-N-[1,2-dioxo-1-[[2-oxo-2-[(phenylmethyl)amino]ethyl]amino]hept-6-en-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide IUPAC Name: 3-[2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-N-[1-[[2-(benzylamino)-2-oxoethyl]amino]-1,2-dioxohept-6-en-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Traditional Name: 3-[2-(1-adamantylcarbamoylamino)-2-cyclohexyl-acetyl]-N-[1-[2-[[2-(benzylamino)-2-keto-ethyl]amino]-2-keto-acetyl]pent-4-enyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Formula: C43H60N6O6 MolecularWeight: 756.9731

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C1C(N(C2)C(=O)C(C3CCCCC3)NC(=O)NC45CC6CC(C4)CC(C6)C5)C(=O)NC(CCC=C)C(=O)C(=O)NCC(=O)NCC7=CC=CC=C7)C

Isomeric SMILES

CC1(C2C1C(N(C2)C(=O)C(C3CCCCC3)NC(=O)NC45CC6CC(C4)CC(C6)C5)C(=O)NC(CCC=C)C(=O)C(=O)NCC(=O)NCC7=CC=CC=C7)C

InChI

InChI=1S/C43H60N6O6/c1-4-5-16-32(37(51)39(53)45-24-33(50)44-23-26-12-8-6-9-13-26)46-38(52)36-34-31(42(34,2)3)25-49(36)40(54)35(30-14-10-7-11-15-30)47-41(55)48-43-20-27-17-28(21-43)19-29(18-27)22-43/h4,6,8-9,12-13,27-32,34-36H,1,5,7,10-11,14-25H2,2-3H3,(H,44,50)(H,45,53)(H,46,52)(H2,47,48,55)