2-[[2-(1,2-thiazinan-2-ylamino)phenyl]carbonylamino]ethanoyl 3-(2-azanylpyridin-3-yl)propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCSN(C1)NC2=CC=CC=C2C(=O)NCC(=O)OC(=O)CCC3=C(N=CC=C3)N

Isomeric SMILES

C1CCSN(C1)NC2=CC=CC=C2C(=O)NCC(=O)OC(=O)CCC3=C(N=CC=C3)N

InChI

InChI=1S/C21H25N5O4S/c22-20-15(6-5-11-23-20)9-10-18(27)30-19(28)14-24-21(29)16-7-1-2-8-17(16)25-26-12-3-4-13-31-26/h1-2,5-8,11,25H,3-4,9-10,12-14H2,(H2,22,23)(H,24,29)