(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-oxidanyl-1-oxidanylidene-propan-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-oxidanyl-1-oxidanylidene-propan-2-yl]-2-(methylamino)propanamide Openeye Name: (2S)-N-[(1S)-2-[(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]-1-(hydroxymethyl)-2-oxo-ethyl]-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-hydroxy-1-oxopropan-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-hydroxy-1-oxopropan-2-yl]-2-(methylamino)propanamide Traditional Name: (2S)-N-[(1S)-2-[(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]-2-keto-1-methylol-ethyl]-2-(methylamino)propionamide Formula: C21H28FN5O3 MolecularWeight: 417.477123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28FN5O3/c1-11(23-2)20(29)26-18(10-28)21(30)27-6-5-16-19(27)15(9-24-16)14-8-25-17-7-12(22)3-4-13(14)17/h3-4,7-8,11,15-16,18-19,23-25,28H,5-6,9-10H2,1-2H3,(H,26,29)/t11-,15+,16+,18-,19+/m0/s1