(1S,4S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexyl-ethanoyl]-N-[1-cyclopropyl-4-[[2-[[(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]amino]-3,4-bis(oxidanylidene)butan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide

Systemtic Name: (1S,4S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexyl-ethanoyl]-N-[1-cyclopropyl-4-[[2-[[(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]amino]-3,4-bis(oxidanylidene)butan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Openeye Name: (1S,4S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexyl-acetyl]-N-[1-(cyclopropylmethyl)-3-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-2,3-dioxo-propyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide CAS Name: (1S,4S,5R)-3-[(2S)-2-[[(tert-butylamino)-oxomethyl]amino]-2-cyclohexyl-1-oxoethyl]-N-[1-cyclopropyl-4-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide IUPAC Name: (1S,4S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-N-[1-cyclopropyl-4-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Traditional Name: (1S,4S,5R)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexyl-acetyl]-N-[1-(cyclopropylmethyl)-3-[[2-[[(1S)-2-(dimethylamino)-2-keto-1-phenyl-ethyl]amino]-2-keto-ethyl]amino]-2,3-diketo-propyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Formula: C40H59N7O7 MolecularWeight: 749.93916

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C1C(N(C2)C(=O)C(C3CCCCC3)NC(=O)NC(C)(C)C)C(=O)NC(CC4CC4)C(=O)C(=O)NCC(=O)NC(C5=CC=CC=C5)C(=O)N(C)C)C

Isomeric SMILES

CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)NC(C)(C)C)C(=O)NC(CC4CC4)C(=O)C(=O)NCC(=O)N[C@@H](C5=CC=CC=C5)C(=O)N(C)C)C

InChI

InChI=1S/C40H59N7O7/c1-39(2,3)45-38(54)44-31(25-16-12-9-13-17-25)37(53)47-22-26-29(40(26,4)5)32(47)34(50)42-27(20-23-18-19-23)33(49)35(51)41-21-28(48)43-30(36(52)46(6)7)24-14-10-8-11-15-24/h8,10-11,14-15,23,25-27,29-32H,9,12-13,16-22H2,1-7H3,(H,41,51)(H,42,50)(H,43,48)(H2,44,45,54)/t26-,27?,29-,30-,31-,32-/m0/s1