2-[[4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 2-[[4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenyl]carbonylamino]propanoic acid Openeye Name: 2-[[4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoyl]amino]propanoic acid CAS Name: 2-[[[4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoyl]amino]propanoic acid Traditional Name: 2-[[4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoyl]amino]propionic acid Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=CC=C(C=C1)C2=NN(C(=NC3CCCCC3)S2)C

Isomeric SMILES

CC(C(=O)O)NC(=O)C1=CC=C(C=C1)C2=NN(C(=NC3CCCCC3)S2)C

InChI

InChI=1S/C19H24N4O3S/c1-12(18(25)26)20-16(24)13-8-10-14(11-9-13)17-22-23(2)19(27-17)21-15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H,20,24)(H,25,26)