calcium (2S,3aS,6aS)-1-[(2S)-2-[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]azanidylpropanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate

Systemtic Name: calcium (2S,3aS,6aS)-1-[(2S)-2-[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]azanidylpropanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate Openeye Name: calcium (2S,3aS,6aS)-1-[(2S)-2-[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]azanidylpropanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate CAS Name: calcium (2S,3aS,6aS)-1-[(2S)-2-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]azanidyl-1-oxopropyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate IUPAC Name: calcium (2S,3aS,6aS)-1-[(2S)-2-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]azanidylpropanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate Traditional Name: calcium (2S,3aS,6aS)-1-[(2S)-2-[(1S)-1-carbethoxy-3-phenyl-propyl]azanidylpropanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate Formula: C23H30CaN2O5 MolecularWeight: 454.5727

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)[N-]C(C)C(=O)N2C3CCCC3CC2C(=O)[O-].[Ca+2]

Isomeric SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)[N-][C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)[O-].[Ca+2]

InChI

InChI=1S/C23H31N2O5.Ca/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28;/h4-6,8-9,15,17-20H,3,7,10-14H2,1-2H3,(H,27,28);/q-1;+2/p-1/t15-,17-,18-,19-,20-;/m0./s1