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

Systemtic Name: (phenylmethyl) (2S,3aS,6aS)-1-[(2S)-2-(3-phenylpropanoylamino)propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate Openeye Name: benzyl (2S,3aS,6aS)-1-[(2S)-2-(3-phenylpropanoylamino)propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate 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 (phenylmethyl) ester IUPAC Name: benzyl (2S,3aS,6aS)-1-[(2S)-2-(3-phenylpropanoylamino)propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate Traditional Name: (2S,3aS,6aS)-1-[(2S)-2-(hydrocinnamoylamino)propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid benzyl ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2CCCC2CC1C(=O)OCC3=CC=CC=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)OCC3=CC=CC=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H32N2O4/c1-19(28-25(30)16-15-20-9-4-2-5-10-20)26(31)29-23-14-8-13-22(23)17-24(29)27(32)33-18-21-11-6-3-7-12-21/h2-7,9-12,19,22-24H,8,13-18H2,1H3,(H,28,30)/t19-,22-,23-,24-/m0/s1