3-[2-(1-adamantylcarbamoylamino)-2-cyclohexyl-ethanoyl]-N-[1,2-bis(oxidanylidene)-1-(prop-2-enylamino)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-(prop-2-enylamino)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-(allylamino)-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-(prop-2-enylamino)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-dioxo-1-(prop-2-enylamino)hept-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-(allylamino)-2-keto-acetyl]pent-4-enyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Formula: C37H55N5O5 MolecularWeight: 649.8631

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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=C)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=C)C

InChI

InChI=1S/C37H55N5O5/c1-5-7-13-27(31(43)33(45)38-14-6-2)39-32(44)30-28-26(36(28,3)4)21-42(30)34(46)29(25-11-9-8-10-12-25)40-35(47)41-37-18-22-15-23(19-37)17-24(16-22)20-37/h5-6,22-30H,1-2,7-21H2,3-4H3,(H,38,45)(H,39,44)(H2,40,41,47)