(2S)-N-[(1S)-2-[(3aR,6S,6aR)-6-(6-fluoranyl-1H-indol-3-yl)-4-(1-methylpiperidin-4-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxidanylidene-ethyl]-2-(methylamino)propanamide

Systemtic Name: (2S)-N-[(1S)-2-[(3aR,6S,6aR)-6-(6-fluoranyl-1H-indol-3-yl)-4-(1-methylpiperidin-4-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxidanylidene-ethyl]-2-(methylamino)propanamide Openeye Name: (2S)-N-[(1S)-2-[(3aR,6S,6aR)-6-(6-fluoro-1H-indol-3-yl)-4-(1-methyl-4-piperidyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxo-ethyl]-2-(methylamino)propanamide CAS Name: (2S)-N-[(1S)-2-[(3aR,6S,6aR)-6-(6-fluoro-1H-indol-3-yl)-4-(1-methyl-4-piperidinyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide IUPAC Name: (2S)-N-[(1S)-2-[(3aR,6S,6aR)-6-(6-fluoro-1H-indol-3-yl)-4-(1-methylpiperidin-4-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide Traditional Name: (2S)-N-[(1S)-2-[(3aR,6S,6aR)-6-(6-fluoro-1H-indol-3-yl)-4-(1-methyl-4-piperidyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-keto-ethyl]-2-(methylamino)propionamide Formula: C32H47FN6O2 MolecularWeight: 566.752983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1CCCCC1)C(=O)N2CCC3C2C(CN3C4CCN(CC4)C)C5=CNC6=C5C=CC(=C6)F)NC

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CC[C@@H]3[C@H]2[C@H](CN3C4CCN(CC4)C)C5=CNC6=C5C=CC(=C6)F)NC

InChI

InChI=1S/C32H47FN6O2/c1-20(34-2)31(40)36-29(21-7-5-4-6-8-21)32(41)38-16-13-28-30(38)26(19-39(28)23-11-14-37(3)15-12-23)25-18-35-27-17-22(33)9-10-24(25)27/h9-10,17-18,20-21,23,26,28-30,34-35H,4-8,11-16,19H2,1-3H3,(H,36,40)/t20-,26+,28+,29-,30+/m0/s1