(2S)-2-[[2-(pyridin-4-ylcarbonylamino)-1,3-thiazol-4-yl]carbonylamino]butanoate

Systemtic Name: (2S)-2-[[2-(pyridin-4-ylcarbonylamino)-1,3-thiazol-4-yl]carbonylamino]butanoate Openeye Name: (2S)-2-[[2-(pyridine-4-carbonylamino)thiazole-4-carbonyl]amino]butanoate CAS Name: (2S)-2-[[oxo-[2-[[oxo(pyridin-4-yl)methyl]amino]-4-thiazolyl]methyl]amino]butanoate IUPAC Name: (2S)-2-[[2-(pyridine-4-carbonylamino)-1,3-thiazole-4-carbonyl]amino]butanoate Traditional Name: (2S)-2-[(2-isonicotinamidothiazole-4-carbonyl)amino]butyrate Formula: C14H13N4O4S- MolecularWeight: 333.34242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])NC(=O)C1=CSC(=N1)NC(=O)C2=CC=NC=C2

Isomeric SMILES

CC[C@@H](C(=O)[O-])NC(=O)C1=CSC(=N1)NC(=O)C2=CC=NC=C2

InChI

InChI=1S/C14H14N4O4S/c1-2-9(13(21)22)16-12(20)10-7-23-14(17-10)18-11(19)8-3-5-15-6-4-8/h3-7,9H,2H2,1H3,(H,16,20)(H,21,22)(H,17,18,19)/p-1/t9-/m0/s1