2-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-2-[1-(carboxymethyl)-6-chloranyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-2-[1-(carboxymethyl)-6-chloranyl-indol-3-yl]ethanoic acid Openeye Name: 2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-[1-(carboxymethyl)-6-chloro-indol-3-yl]acetic acid CAS Name: 2-[(2S)-2-carbamoyl-1-pyrrolidinyl]-2-[1-(carboxymethyl)-6-chloro-3-indolyl]acetic acid IUPAC Name: 2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-[1-(carboxymethyl)-6-chloroindol-3-yl]acetic acid Traditional Name: 2-[(2S)-2-carbamoylpyrrolidino]-2-[1-(carboxymethyl)-6-chloro-indol-3-yl]acetic acid Formula: C17H18ClN3O5 MolecularWeight: 379.79492

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CN(C3=C2C=CC(=C3)Cl)CC(=O)O)C(=O)O)C(=O)N

Isomeric SMILES

C1C[C@H](N(C1)C(C2=CN(C3=C2C=CC(=C3)Cl)CC(=O)O)C(=O)O)C(=O)N

InChI

InChI=1S/C17H18ClN3O5/c18-9-3-4-10-11(7-20(8-14(22)23)13(10)6-9)15(17(25)26)21-5-1-2-12(21)16(19)24/h3-4,6-7,12,15H,1-2,5,8H2,(H2,19,24)(H,22,23)(H,25,26)/t12-,15?/m0/s1