(phenylmethyl) (2S)-1-[(2S)-2-(cyclohexylcarbonylamino)-3-phenylmethoxy-propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[(2S)-2-(cyclohexylcarbonylamino)-3-phenylmethoxy-propanoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[(2S)-3-benzyloxy-2-(cyclohexanecarbonylamino)propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2-[[cyclohexyl(oxo)methyl]amino]-1-oxo-3-phenylmethoxypropyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(2S)-2-(cyclohexanecarbonylamino)-3-phenylmethoxypropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-3-benzoxy-2-(cyclohexanecarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C29H36N2O5 MolecularWeight: 492.60654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(COCC2=CC=CC=C2)C(=O)N3CCCC3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(=O)N[C@@H](COCC2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H36N2O5/c32-27(24-15-8-3-9-16-24)30-25(21-35-19-22-11-4-1-5-12-22)28(33)31-18-10-17-26(31)29(34)36-20-23-13-6-2-7-14-23/h1-2,4-7,11-14,24-26H,3,8-10,15-21H2,(H,30,32)/t25-,26-/m0/s1