(2S)-3-(1H-imidazol-5-yl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanoic acid

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanoic acid Openeye Name: (2S)-3-(1H-imidazol-5-yl)-2-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]propanoic acid CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]propanoic acid IUPAC Name: (2S)-3-(1H-imidazol-5-yl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanoic acid Traditional Name: (2S)-3-(1H-imidazol-5-yl)-2-[[(E)-3-(2-thienyl)acryloyl]amino]propionic acid Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C=CC(=O)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

C1=CSC(=C1)/C=C/C(=O)N[C@@H](CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C13H13N3O3S/c17-12(4-3-10-2-1-5-20-10)16-11(13(18)19)6-9-7-14-8-15-9/h1-5,7-8,11H,6H2,(H,14,15)(H,16,17)(H,18,19)/b4-3+/t11-/m0/s1