(2S)-1-[1-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-oxidanyl-2-oxidanylidene-ethyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[1-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-oxidanyl-2-oxidanylidene-ethyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[1-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-hydroxy-2-oxo-ethyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[1-[1-(carboxymethyl)-5-methoxy-3-indolyl]-2-hydroxy-2-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[1-[1-(carboxymethyl)-5-methoxyindol-3-yl]-2-hydroxy-2-oxoethyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[1-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-hydroxy-2-keto-ethyl]proline Formula: C18H20N2O7 MolecularWeight: 376.3606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCCC3C(=O)O)CC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCC[C@H]3C(=O)O)CC(=O)O

InChI

InChI=1S/C18H20N2O7/c1-27-10-4-5-13-11(7-10)12(8-19(13)9-15(21)22)16(18(25)26)20-6-2-3-14(20)17(23)24/h4-5,7-8,14,16H,2-3,6,9H2,1H3,(H,21,22)(H,23,24)(H,25,26)/t14-,16?/m0/s1