(2S)-3-(1H-imidazol-5-yl)-2-(4-thiophen-2-ylbutanoylamino)propanoate

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-(4-thiophen-2-ylbutanoylamino)propanoate Openeye Name: (2S)-3-(1H-imidazol-5-yl)-2-[4-(2-thienyl)butanoylamino]propanoate CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[(1-oxo-4-thiophen-2-ylbutyl)amino]propanoate IUPAC Name: (2S)-3-(1H-imidazol-5-yl)-2-(4-thiophen-2-ylbutanoylamino)propanoate Traditional Name: (2S)-3-(1H-imidazol-5-yl)-2-[4-(2-thienyl)butanoylamino]propionate Formula: C14H16N3O3S- MolecularWeight: 306.36014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCCC(=O)NC(CC2=CN=CN2)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3S/c18-13(5-1-3-11-4-2-6-21-11)17-12(14(19)20)7-10-8-15-9-16-10/h2,4,6,8-9,12H,1,3,5,7H2,(H,15,16)(H,17,18)(H,19,20)/p-1/t12-/m0/s1