3-pyridin-3-yl-3-[2-[[3-(1,2-thiazinan-2-ylamino)phenyl]carbonylamino]ethanoylamino]propanoic acid

Systemtic Name: 3-pyridin-3-yl-3-[2-[[3-(1,2-thiazinan-2-ylamino)phenyl]carbonylamino]ethanoylamino]propanoic acid Openeye Name: 3-(3-pyridyl)-3-[[2-[[3-(thiazinan-2-ylamino)benzoyl]amino]acetyl]amino]propanoic acid CAS Name: 3-[[1-oxo-2-[[oxo-[3-(2-thiazinanylamino)phenyl]methyl]amino]ethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-pyridin-3-yl-3-[[2-[[3-(thiazinan-2-ylamino)benzoyl]amino]acetyl]amino]propanoic acid Traditional Name: 3-(3-pyridyl)-3-[[2-[[3-(thiazinan-2-ylamino)benzoyl]amino]acetyl]amino]propionic acid Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

C1CCSN(C1)NC2=CC=CC(=C2)C(=O)NCC(=O)NC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1CCSN(C1)NC2=CC=CC(=C2)C(=O)NCC(=O)NC(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C21H25N5O4S/c27-19(24-18(12-20(28)29)16-6-4-8-22-13-16)14-23-21(30)15-5-3-7-17(11-15)25-26-9-1-2-10-31-26/h3-8,11,13,18,25H,1-2,9-10,12,14H2,(H,23,30)(H,24,27)(H,28,29)