(2S,3aS,6aS)-1-[(2S)-2-(3-phenylpropanoylamino)propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid

Systemtic Name: (2S,3aS,6aS)-1-[(2S)-2-(3-phenylpropanoylamino)propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid Openeye Name: (2S,3aS,6aS)-1-[(2S)-2-(3-phenylpropanoylamino)propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid CAS Name: (2S,3aS,6aS)-1-[(2S)-1-oxo-2-[(1-oxo-3-phenylpropyl)amino]propyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid IUPAC Name: (2S,3aS,6aS)-1-[(2S)-2-(3-phenylpropanoylamino)propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid Traditional Name: (2S,3aS,6aS)-1-[(2S)-2-(hydrocinnamoylamino)propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2CCCC2CC1C(=O)O)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O4/c1-13(21-18(23)11-10-14-6-3-2-4-7-14)19(24)22-16-9-5-8-15(16)12-17(22)20(25)26/h2-4,6-7,13,15-17H,5,8-12H2,1H3,(H,21,23)(H,25,26)/t13-,15-,16-,17-/m0/s1