4-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]acetyl]amino]benzoic acid CAS Name: 4-[[2-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[[2-[(2S)-2-cyanopyrrolidino]-2-keto-ethyl]amino]acetyl]amino]benzoic acid Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNCC(=O)NC2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNCC(=O)NC2=CC=C(C=C2)C(=O)O)C#N

InChI

InChI=1S/C16H18N4O4/c17-8-13-2-1-7-20(13)15(22)10-18-9-14(21)19-12-5-3-11(4-6-12)16(23)24/h3-6,13,18H,1-2,7,9-10H2,(H,19,21)(H,23,24)/t13-/m0/s1