(2S)-N-[(2S)-1-[(3aR,6S,6aR)-6-(6-fluoranyl-1H-indol-3-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-(methylamino)propanamide

Systemtic Name: (2S)-N-[(2S)-1-[(3aR,6S,6aR)-6-(6-fluoranyl-1H-indol-3-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-(methylamino)propanamide Openeye Name: (2S)-N-[(1S)-1-[(3aR,6S,6aR)-6-(6-fluoro-1H-indol-3-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,2-b]pyrrole-1-carbonyl]-2-methyl-propyl]-2-(methylamino)propanamide CAS Name: (2S)-N-[(2S)-1-[(3aR,6S,6aR)-6-(6-fluoro-1H-indol-3-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide IUPAC Name: (2S)-N-[(2S)-1-[(3aR,6S,6aR)-6-(6-fluoro-1H-indol-3-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide Traditional Name: (2S)-N-[(1S)-1-[(3aR,6S,6aR)-6-(6-fluoro-1H-indol-3-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,2-b]pyrrole-1-carbonyl]-2-methyl-propyl]-2-(methylamino)propionamide Formula: C23H32FN5O2 MolecularWeight: 429.530883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC2C1C(CN2)C3=CNC4=C3C=CC(=C4)F)NC(=O)C(C)NC

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@@H]2[C@H]1[C@H](CN2)C3=CNC4=C3C=CC(=C4)F)NC

InChI

InChI=1S/C23H32FN5O2/c1-12(2)20(28-22(30)13(3)25-4)23(31)29-8-7-18-21(29)17(11-26-18)16-10-27-19-9-14(24)5-6-15(16)19/h5-6,9-10,12-13,17-18,20-21,25-27H,7-8,11H2,1-4H3,(H,28,30)/t13-,17+,18+,20-,21+/m0/s1