3-phenyl-3-[2-[[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]carbonylamino]ethanoylamino]propanoic acid

Systemtic Name: 3-phenyl-3-[2-[[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]carbonylamino]ethanoylamino]propanoic acid Openeye Name: 3-phenyl-3-[[2-[[2-(phenylcarbamoylamino)thiazole-4-carbonyl]amino]acetyl]amino]propanoic acid CAS Name: 3-[[2-[[[2-[[anilino(oxo)methyl]amino]-4-thiazolyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-3-[[2-[[2-(phenylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetyl]amino]propanoic acid Traditional Name: 3-phenyl-3-[[2-[[2-(phenylcarbamoylamino)thiazole-4-carbonyl]amino]acetyl]amino]propionic acid Formula: C22H21N5O5S MolecularWeight: 467.49764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CNC(=O)C2=CSC(=N2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CNC(=O)C2=CSC(=N2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H21N5O5S/c28-18(25-16(11-19(29)30)14-7-3-1-4-8-14)12-23-20(31)17-13-33-22(26-17)27-21(32)24-15-9-5-2-6-10-15/h1-10,13,16H,11-12H2,(H,23,31)(H,25,28)(H,29,30)(H2,24,26,27,32)