3-(4-isothiocyanatophenyl)-5-oxidanylidene-5-(2-oxidanylpropylamino)pentanoic acid

Systemtic Name: 3-(4-isothiocyanatophenyl)-5-oxidanylidene-5-(2-oxidanylpropylamino)pentanoic acid Openeye Name: 5-(2-hydroxypropylamino)-3-(4-isothiocyanatophenyl)-5-oxo-pentanoic acid CAS Name: 5-(2-hydroxypropylamino)-3-(4-isothiocyanatophenyl)-5-oxopentanoic acid IUPAC Name: 5-(2-hydroxypropylamino)-3-(4-isothiocyanatophenyl)-5-oxopentanoic acid Traditional Name: 5-(2-hydroxypropylamino)-3-(4-isothiocyanatophenyl)-5-keto-valeric acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O4S/c1-10(18)8-16-14(19)6-12(7-15(20)21)11-2-4-13(5-3-11)17-9-22/h2-5,10,12,18H,6-8H2,1H3,(H,16,19)(H,20,21)