3-[[4-[[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enyl-amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enyl-amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[allyl-(4-phenylthiazol-2-yl)amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[4-[[(4-phenyl-2-thiazolyl)-prop-2-enylamino]methyl]phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[[4-[[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[allyl-(4-phenylthiazol-2-yl)amino]methyl]benzoyl]amino]propionic acid Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(C=C1)C(=O)NCCC(=O)O)C2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

C=CCN(CC1=CC=C(C=C1)C(=O)NCCC(=O)O)C2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C23H23N3O3S/c1-2-14-26(23-25-20(16-30-23)18-6-4-3-5-7-18)15-17-8-10-19(11-9-17)22(29)24-13-12-21(27)28/h2-11,16H,1,12-15H2,(H,24,29)(H,27,28)