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

Systemtic Name: 3-phenyl-2-[[4-[[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enyl-amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 2-[[4-[[allyl-(4-phenylthiazol-2-yl)amino]methyl]benzoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[oxo-[4-[[(4-phenyl-2-thiazolyl)-prop-2-enylamino]methyl]phenyl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[[4-[[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 2-[[4-[[allyl-(4-phenylthiazol-2-yl)amino]methyl]benzoyl]amino]-3-phenyl-propionic acid Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

C=CCN(CC1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C29H27N3O3S/c1-2-17-32(29-31-26(20-36-29)23-11-7-4-8-12-23)19-22-13-15-24(16-14-22)27(33)30-25(28(34)35)18-21-9-5-3-6-10-21/h2-16,20,25H,1,17-19H2,(H,30,33)(H,34,35)