methyl (2S)-1-[(2S)-3,3-dicyclohexyl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(2S)-3,3-dicyclohexyl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(2S)-2-(benzyloxycarbonylamino)-3,3-dicyclohexyl-propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-3,3-dicyclohexyl-1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(2S)-3,3-dicyclohexyl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-(benzyloxycarbonylamino)-3,3-dicyclohexyl-propanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C29H42N2O5 MolecularWeight: 498.65418

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C(C(C2CCCCC2)C3CCCCC3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C2CCCCC2)C3CCCCC3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H42N2O5/c1-35-28(33)24-18-11-19-31(24)27(32)26(30-29(34)36-20-21-12-5-2-6-13-21)25(22-14-7-3-8-15-22)23-16-9-4-10-17-23/h2,5-6,12-13,22-26H,3-4,7-11,14-20H2,1H3,(H,30,34)/t24-,26-/m0/s1