(1S,4S,5R)-N-[1,2-bis(oxidanylidene)-1-(prop-2-enylamino)hept-6-yn-3-yl]-3-[(2S)-2-[[(2S)-1-[[2-tert-butyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]-methyl-amino]-3,3-dimethyl-butan-2-yl]carbamoylamino]-2-cyclohexyl-ethanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide

Systemtic Name: (1S,4S,5R)-N-[1,2-bis(oxidanylidene)-1-(prop-2-enylamino)hept-6-yn-3-yl]-3-[(2S)-2-[[(2S)-1-[[2-tert-butyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]-methyl-amino]-3,3-dimethyl-butan-2-yl]carbamoylamino]-2-cyclohexyl-ethanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Openeye Name: (1S,4S,5R)-N-[1-[2-(allylamino)-2-oxo-acetyl]pent-4-ynyl]-3-[(2S)-2-[[(1S)-1-[[(2-tert-butyl-3,4-dioxo-cyclobuten-1-yl)-methyl-amino]methyl]-2,2-dimethyl-propyl]carbamoylamino]-2-cyclohexyl-acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide CAS Name: (1S,4S,5R)-3-[(2S)-2-[[[[(2S)-1-[(2-tert-butyl-3,4-dioxo-1-cyclobutenyl)-methylamino]-3,3-dimethylbutan-2-yl]amino]-oxomethyl]amino]-2-cyclohexyl-1-oxoethyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide IUPAC Name: (1S,4S,5R)-3-[(2S)-2-[[(2S)-1-[(2-tert-butyl-3,4-dioxocyclobuten-1-yl)-methylamino]-3,3-dimethylbutan-2-yl]carbamoylamino]-2-cyclohexylacetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Traditional Name: (1S,4S,5R)-N-[1-[2-(allylamino)-2-keto-acetyl]pent-4-ynyl]-3-[(2S)-2-[[(1S)-1-[[(2-tert-butyl-3,4-diketo-cyclobuten-1-yl)-methyl-amino]methyl]-2,2-dimethyl-propyl]carbamoylamino]-2-cyclohexyl-acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Formula: C42H62N6O7 MolecularWeight: 762.97768

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C1C(N(C2)C(=O)C(C3CCCCC3)NC(=O)NC(CN(C)C4=C(C(=O)C4=O)C(C)(C)C)C(C)(C)C)C(=O)NC(CCC#C)C(=O)C(=O)NCC=C)C

Isomeric SMILES

CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)N[C@H](CN(C)C4=C(C(=O)C4=O)C(C)(C)C)C(C)(C)C)C(=O)NC(CCC#C)C(=O)C(=O)NCC=C)C

InChI

InChI=1S/C42H62N6O7/c1-12-14-20-26(33(49)37(53)43-21-13-2)44-36(52)32-28-25(42(28,9)10)22-48(32)38(54)30(24-18-16-15-17-19-24)46-39(55)45-27(40(3,4)5)23-47(11)31-29(41(6,7)8)34(50)35(31)51/h1,13,24-28,30,32H,2,14-23H2,3-11H3,(H,43,53)(H,44,52)(H2,45,46,55)/t25-,26?,27+,28-,30-,32-/m0/s1