2-[(3S,8aS)-3-(hydroxymethyl)-1,4-bis(oxidanylidene)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[[4-[[2-[(3S,8aS)-3-(hydroxymethyl)-1,4-bis(oxidanylidene)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]ethanoylamino]methyl]phenyl]methyl]ethanamide

Systemtic Name: 2-[(3S,8aS)-3-(hydroxymethyl)-1,4-bis(oxidanylidene)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[[4-[[2-[(3S,8aS)-3-(hydroxymethyl)-1,4-bis(oxidanylidene)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]ethanoylamino]methyl]phenyl]methyl]ethanamide Openeye Name: 2-[(3S,8aS)-3-(hydroxymethyl)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[[4-[[[2-[(3S,8aS)-3-(hydroxymethyl)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]acetyl]amino]methyl]phenyl]methyl]acetamide CAS Name: 2-[(3S,8aS)-3-(hydroxymethyl)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[[4-[[[2-[(3S,8aS)-3-(hydroxymethyl)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-1-oxoethyl]amino]methyl]phenyl]methyl]acetamide IUPAC Name: 2-[(3S,8aS)-3-(hydroxymethyl)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[[4-[[[2-[(3S,8aS)-3-(hydroxymethyl)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]acetyl]amino]methyl]phenyl]methyl]acetamide Traditional Name: 2-[(3S,8aS)-1,4-diketo-3-methylol-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[4-[[[2-[(3S,8aS)-1,4-diketo-3-methylol-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]acetyl]amino]methyl]benzyl]acetamide Formula: C28H36N6O8 MolecularWeight: 584.62084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=O)N(C(C(=O)N2C1)CO)CC(=O)NCC3=CC=C(C=C3)CNC(=O)CN4C(C(=O)N5CCCC5C4=O)CO

Isomeric SMILES

C1C[C@H]2C(=O)N([C@H](C(=O)N2C1)CO)CC(=O)NCC3=CC=C(C=C3)CNC(=O)CN4[C@H](C(=O)N5CCC[C@H]5C4=O)CO

InChI

InChI=1S/C28H36N6O8/c35-15-21-27(41)31-9-1-3-19(31)25(39)33(21)13-23(37)29-11-17-5-7-18(8-6-17)12-30-24(38)14-34-22(16-36)28(42)32-10-2-4-20(32)26(34)40/h5-8,19-22,35-36H,1-4,9-16H2,(H,29,37)(H,30,38)/t19-,20-,21-,22-/m0/s1