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

Systemtic Name: 3-[2-(1-adamantylcarbamoylamino)-2-cyclohexyl-ethanoyl]-6,6-dimethyl-N-[1-[[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]-1,2-bis(oxidanylidene)hept-6-en-3-yl]-3-azabicyclo[3.1.0]hexane-4-carboxamide Openeye Name: 3-[2-(1-adamantylcarbamoylamino)-2-cyclohexyl-acetyl]-N-[1-[2-[[2-[benzyl(methyl)amino]-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]-6,6-dimethyl-N-[1-[[2-[methyl-(phenylmethyl)amino]-2-oxoethyl]amino]-1,2-dioxohept-6-en-3-yl]-3-azabicyclo[3.1.0]hexane-4-carboxamide IUPAC Name: 3-[2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-N-[1-[[2-[benzyl(methyl)amino]-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-[benzyl(methyl)amino]-2-keto-ethyl]amino]-2-keto-acetyl]pent-4-enyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Formula: C44H62N6O6 MolecularWeight: 770.99968

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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)N(C)CC7=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)N(C)CC7=CC=CC=C7)C

InChI

InChI=1S/C44H62N6O6/c1-5-6-17-33(38(52)40(54)45-24-34(51)49(4)25-27-13-9-7-10-14-27)46-39(53)37-35-32(43(35,2)3)26-50(37)41(55)36(31-15-11-8-12-16-31)47-42(56)48-44-21-28-18-29(22-44)20-30(19-28)23-44/h5,7,9-10,13-14,28-33,35-37H,1,6,8,11-12,15-26H2,2-4H3,(H,45,54)(H,46,53)(H2,47,48,56)