2-[[2-(2-azanylethyl)-4-isothiocyanato-phenyl]-(carboxymethyl)amino]propanoic acid

Systemtic Name: 2-[[2-(2-azanylethyl)-4-isothiocyanato-phenyl]-(carboxymethyl)amino]propanoic acid Openeye Name: 2-[2-(2-aminoethyl)-N-(carboxymethyl)-4-isothiocyanato-anilino]propanoic acid CAS Name: 2-[2-(2-aminoethyl)-N-(carboxymethyl)-4-isothiocyanatoanilino]propanoic acid IUPAC Name: 2-[2-(2-aminoethyl)-N-(carboxymethyl)-4-isothiocyanatoanilino]propanoic acid Traditional Name: 2-[2-(2-aminoethyl)-N-(carboxymethyl)-4-isothiocyanato-anilino]propionic acid Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(CC(=O)O)C1=C(C=C(C=C1)N=C=S)CCN

Isomeric SMILES

CC(C(=O)O)N(CC(=O)O)C1=C(C=C(C=C1)N=C=S)CCN

InChI

InChI=1S/C14H17N3O4S/c1-9(14(20)21)17(7-13(18)19)12-3-2-11(16-8-22)6-10(12)4-5-15/h2-3,6,9H,4-5,7,15H2,1H3,(H,18,19)(H,20,21)