4-[[2-(3-oxidanylpropylphosphanylamino)-3-(1,3-thiazol-4-yl)propanoyl]amino]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[[2-(3-oxidanylpropylphosphanylamino)-3-(1,3-thiazol-4-yl)propanoyl]amino]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[[2-(3-hydroxypropylphosphanylamino)-3-thiazol-4-yl-propanoyl]amino]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[[2-(3-hydroxypropylphosphinoamino)-1-oxo-3-(4-thiazolyl)propyl]amino]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[[2-(3-hydroxypropylphosphanylamino)-3-(1,3-thiazol-4-yl)propanoyl]amino]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[[2-(3-hydroxypropylphosphinoamino)-3-thiazol-4-yl-propanoyl]amino]-1H-pyrrole-2-carboxylic acid Formula: C14H19N4O4PS MolecularWeight: 370.363821

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=C1NC(=O)C(CC2=CSC=N2)NPCCCO)C(=O)O

Isomeric SMILES

C1=C(NC=C1NC(=O)C(CC2=CSC=N2)NPCCCO)C(=O)O

InChI

InChI=1S/C14H19N4O4PS/c19-2-1-3-23-18-11(5-10-7-24-8-16-10)13(20)17-9-4-12(14(21)22)15-6-9/h4,6-8,11,15,18-19,23H,1-3,5H2,(H,17,20)(H,21,22)