(2S)-4-azanyl-4-oxidanylidene-2-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanoylamino]butanoic acid

Systemtic Name: (2S)-4-azanyl-4-oxidanylidene-2-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanoylamino]butanoic acid Openeye Name: (2S)-4-amino-4-oxo-2-[[2-[2-(2-pyridyl)thiazol-4-yl]acetyl]amino]butanoic acid CAS Name: (2S)-4-amino-4-oxo-2-[[1-oxo-2-[2-(2-pyridinyl)-4-thiazolyl]ethyl]amino]butanoic acid IUPAC Name: (2S)-4-amino-4-oxo-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid Traditional Name: (2S)-4-amino-4-keto-2-[[2-[2-(2-pyridyl)thiazol-4-yl]acetyl]amino]butyric acid Formula: C14H14N4O4S MolecularWeight: 334.35036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NC(=CS2)CC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)C2=NC(=CS2)CC(=O)N[C@@H](CC(=O)N)C(=O)O

InChI

InChI=1S/C14H14N4O4S/c15-11(19)6-10(14(21)22)18-12(20)5-8-7-23-13(17-8)9-3-1-2-4-16-9/h1-4,7,10H,5-6H2,(H2,15,19)(H,18,20)(H,21,22)/t10-/m0/s1