3-[2-(1-adamantylcarbamoylamino)-2-cyclohexyl-ethanoyl]-N-[1-(but-3-enylamino)-1,2-bis(oxidanylidene)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-(but-3-enylamino)-1,2-bis(oxidanylidene)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-(but-3-enylamino)-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-(but-3-enylamino)-1,2-dioxohept-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-(but-3-enylamino)-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-(but-3-enylamino)-2-keto-acetyl]pent-4-enyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Formula: C38H57N5O5 MolecularWeight: 663.88968

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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)NCCC=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)NCCC=C)C

InChI

InChI=1S/C38H57N5O5/c1-5-7-14-28(32(44)34(46)39-15-8-6-2)40-33(45)31-29-27(37(29,3)4)22-43(31)35(47)30(26-12-10-9-11-13-26)41-36(48)42-38-19-23-16-24(20-38)18-25(17-23)21-38/h5-6,23-31H,1-2,7-22H2,3-4H3,(H,39,46)(H,40,45)(H2,41,42,48)