[(2S)-2-[[(1S)-2-[(1S,4S,5R)-4-[[1,2-bis(oxidanylidene)-1-(prop-2-enylamino)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-propan-2-ylcarbamate

Systemtic Name: [(2S)-2-[[(1S)-2-[(1S,4S,5R)-4-[[1,2-bis(oxidanylidene)-1-(prop-2-enylamino)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-propan-2-ylcarbamate Openeye Name: [(2S)-2-[[(1S)-2-[(1S,4S,5R)-4-[1-[2-(allylamino)-2-oxo-acetyl]pent-4-ynylcarbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(1-methylcyclohexyl)-2-oxo-ethyl]carbamoylamino]-3,3-dimethyl-butyl] N-isopropylcarbamate CAS Name: N-propan-2-ylcarbamic acid [(2S)-2-[[[[(1S)-2-[(1S,4S,5R)-4-[[[1,2-dioxo-1-(prop-2-enylamino)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: [(2S)-2-[[(1S)-2-[(1S,4S,5R)-4-[[1,2-dioxo-1-(prop-2-enylamino)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-propan-2-ylcarbamate Traditional Name: N-isopropylcarbamic acid [(2S)-2-[[(1S)-2-[(1S,4S,5R)-4-[1-[2-(allylamino)-2-keto-acetyl]pent-4-ynylcarbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-keto-1-(1-methylcyclohexyl)ethyl]carbamoylamino]-3,3-dimethyl-butyl] ester Formula: C38H60N6O7 MolecularWeight: 712.919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)OCC(C(C)(C)C)NC(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CCC#C)C(=O)C(=O)NCC=C)C2(C)C)C3(CCCCC3)C

Isomeric SMILES

CC(C)NC(=O)OC[C@H](C(C)(C)C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CCC#C)C(=O)C(=O)NCC=C)C2(C)C)C3(CCCCC3)C

InChI

InChI=1S/C38H60N6O7/c1-11-13-17-25(29(45)32(47)39-20-12-2)41-31(46)28-27-24(37(27,8)9)21-44(28)33(48)30(38(10)18-15-14-16-19-38)43-34(49)42-26(36(5,6)7)22-51-35(50)40-23(3)4/h1,12,23-28,30H,2,13-22H2,3-10H3,(H,39,47)(H,40,50)(H,41,46)(H2,42,43,49)/t24-,25?,26+,27-,28-,30+/m0/s1