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

Systemtic Name: 3-[[4-[[(4-naphthalen-2-yl-1,3-thiazol-2-yl)-prop-2-enyl-amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[allyl-[4-(2-naphthyl)thiazol-2-yl]amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[[4-(2-naphthalenyl)-2-thiazolyl]-prop-2-enylamino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[(4-naphthalen-2-yl-1,3-thiazol-2-yl)-prop-2-enylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[allyl-[4-(2-naphthyl)thiazol-2-yl]amino]methyl]benzoyl]amino]propionic acid Formula: C27H25N3O3S MolecularWeight: 471.5707

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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=CC4=CC=CC=C4C=C3

Isomeric SMILES

C=CCN(CC1=CC=C(C=C1)C(=O)NCCC(=O)O)C2=NC(=CS2)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H25N3O3S/c1-2-15-30(17-19-7-9-21(10-8-19)26(33)28-14-13-25(31)32)27-29-24(18-34-27)23-12-11-20-5-3-4-6-22(20)16-23/h2-12,16,18H,1,13-15,17H2,(H,28,33)(H,31,32)