methyl (2S)-1-[(2S,3S)-3-azanyl-2-oxidanyl-4-phenyl-butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(2S,3S)-3-azanyl-2-oxidanyl-4-phenyl-butanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(2S,3S)-3-amino-2-hydroxy-4-phenyl-butanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S,3S)-3-amino-2-hydroxy-1-oxo-4-phenylbutyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S,3S)-3-amino-2-hydroxy-4-phenyl-butanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C(C(CC2=CC=CC=C2)N)O

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](CC2=CC=CC=C2)N)O

InChI

InChI=1S/C16H22N2O4/c1-22-16(21)13-8-5-9-18(13)15(20)14(19)12(17)10-11-6-3-2-4-7-11/h2-4,6-7,12-14,19H,5,8-10,17H2,1H3/t12-,13-,14-/m0/s1