(2S,3S,4S)-3-(carboxymethyl)-4-[1-(3-methyl-4-pentoxy-phenyl)ethenyl]-1-phenylmethoxycarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,3S,4S)-3-(carboxymethyl)-4-[1-(3-methyl-4-pentoxy-phenyl)ethenyl]-1-phenylmethoxycarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,3S,4S)-1-benzyloxycarbonyl-3-(carboxymethyl)-4-[1-(3-methyl-4-pentoxy-phenyl)vinyl]pyrrolidine-2-carboxylic acid CAS Name: (2S,3S,4S)-3-(carboxymethyl)-4-[1-(3-methyl-4-pentoxyphenyl)ethenyl]-1-phenylmethoxycarbonyl-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,3S,4S)-3-(carboxymethyl)-4-[1-(3-methyl-4-pentoxyphenyl)ethenyl]-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid Traditional Name: (2S,3S,4S)-4-[1-(4-amoxy-3-methyl-phenyl)vinyl]-1-carbobenzoxy-3-(carboxymethyl)proline Formula: C29H35NO7 MolecularWeight: 509.5907

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C(=C)C2CN(C(C2CC(=O)O)C(=O)O)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C(=C)[C@H]2CN([C@@H]([C@H]2CC(=O)O)C(=O)O)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C29H35NO7/c1-4-5-9-14-36-25-13-12-22(15-19(25)2)20(3)24-17-30(27(28(33)34)23(24)16-26(31)32)29(35)37-18-21-10-7-6-8-11-21/h6-8,10-13,15,23-24,27H,3-5,9,14,16-18H2,1-2H3,(H,31,32)(H,33,34)/t23-,24+,27-/m0/s1