(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-(1-methylcyclohexyl)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-(1-methylcyclohexyl)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-(1-methylcyclohexyl)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-(1-methylcyclohexyl)-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-(1-methylcyclohexyl)acetyl]-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-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Formula: C43H64N6O7 MolecularWeight: 777.00426

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C1C(N(C2)C(=O)C(C3(CCCCC3)C)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](C3(CCCCC3)C)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/C43H64N6O7/c1-13-15-19-26(32(50)37(54)44-22-14-2)45-36(53)31-28-25(42(28,9)10)23-49(31)38(55)35(43(11)20-17-16-18-21-43)47-39(56)46-27(40(3,4)5)24-48(12)30-29(41(6,7)8)33(51)34(30)52/h1,14,25-28,31,35H,2,15-24H2,3-12H3,(H,44,54)(H,45,53)(H2,46,47,56)/t25-,26?,27+,28-,31-,35+/m0/s1