[2-[[2-[4-[[1,2-bis(oxidanylidene)-1-(propylamino)hept-6-yn-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(1-methylcyclohexyl)-2-oxidanylidene-ethyl]carbamoylamino]-3,3-dimethyl-butyl] N-(2-methylpropyl)carbamate

Systemtic Name: [2-[[2-[4-[[1,2-bis(oxidanylidene)-1-(propylamino)hept-6-yn-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(1-methylcyclohexyl)-2-oxidanylidene-ethyl]carbamoylamino]-3,3-dimethyl-butyl] N-(2-methylpropyl)carbamate Openeye Name: [2-[[2-[6,6-dimethyl-4-[1-[2-oxo-2-(propylamino)acetyl]pent-4-ynylcarbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(1-methylcyclohexyl)-2-oxo-ethyl]carbamoylamino]-3,3-dimethyl-butyl] N-isobutylcarbamate CAS Name: N-(2-methylpropyl)carbamic acid [2-[[[[2-[4-[[[1,2-dioxo-1-(propylamino)hept-6-yn-3-yl]amino]-oxomethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(1-methylcyclohexyl)-2-oxoethyl]amino]-oxomethyl]amino]-3,3-dimethylbutyl] ester IUPAC Name: [2-[[2-[4-[[1,2-dioxo-1-(propylamino)hept-6-yn-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(1-methylcyclohexyl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-(2-methylpropyl)carbamate Traditional Name: N-isobutylcarbamic acid [2-[[2-keto-2-[4-[1-[2-keto-2-(propylamino)acetyl]pent-4-ynylcarbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(1-methylcyclohexyl)ethyl]carbamoylamino]-3,3-dimethyl-butyl] ester Formula: C39H64N6O7 MolecularWeight: 728.96146

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(=O)C(CCC#C)NC(=O)C1C2C(C2(C)C)CN1C(=O)C(C3(CCCCC3)C)NC(=O)NC(COC(=O)NCC(C)C)C(C)(C)C

Isomeric SMILES

CCCNC(=O)C(=O)C(CCC#C)NC(=O)C1C2C(C2(C)C)CN1C(=O)C(C3(CCCCC3)C)NC(=O)NC(COC(=O)NCC(C)C)C(C)(C)C

InChI

InChI=1S/C39H64N6O7/c1-11-13-17-26(30(46)33(48)40-20-12-2)42-32(47)29-28-25(38(28,8)9)22-45(29)34(49)31(39(10)18-15-14-16-19-39)44-35(50)43-27(37(5,6)7)23-52-36(51)41-21-24(3)4/h1,24-29,31H,12-23H2,2-10H3,(H,40,48)(H,41,51)(H,42,47)(H2,43,44,50)