2-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]ethanoic acid

Systemtic Name: 2-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]ethanoic acid Openeye Name: 2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]acetic acid CAS Name: 2-[(2S)-2-carbamoyl-1-pyrrolidinyl]-2-[1-(carboxymethyl)-5-methoxy-3-indolyl]acetic acid IUPAC Name: 2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-[1-(carboxymethyl)-5-methoxyindol-3-yl]acetic acid Traditional Name: 2-[(2S)-2-carbamoylpyrrolidino]-2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]acetic acid Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6/c1-27-10-4-5-13-11(7-10)12(8-20(13)9-15(22)23)16(18(25)26)21-6-2-3-14(21)17(19)24/h4-5,7-8,14,16H,2-3,6,9H2,1H3,(H2,19,24)(H,22,23)(H,25,26)/t14-,16?/m0/s1