(2S)-N-[(1S)-2-[(3aR,6S,6aR)-6-(6-fluoranyl-1H-indol-3-yl)-4-(pyridin-3-ylmethyl)-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-(pyridin-3-ylmethyl)-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-(3-pyridylmethyl)-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-(3-pyridinylmethyl)-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-(pyridin-3-ylmethyl)-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-(3-pyridylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-keto-ethyl]-2-(methylamino)propionamide Formula: C32H41FN6O2 MolecularWeight: 560.705343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1CCCCC1)C(=O)N2CCC3C2C(CN3CC4=CN=CC=C4)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](CN3CC4=CN=CC=C4)C5=CNC6=C5C=CC(=C6)F)NC

InChI

InChI=1S/C32H41FN6O2/c1-20(34-2)31(40)37-29(22-8-4-3-5-9-22)32(41)39-14-12-28-30(39)26(19-38(28)18-21-7-6-13-35-16-21)25-17-36-27-15-23(33)10-11-24(25)27/h6-7,10-11,13,15-17,20,22,26,28-30,34,36H,3-5,8-9,12,14,18-19H2,1-2H3,(H,37,40)/t20-,26+,28+,29-,30+/m0/s1