2-[2-(6-isothiocyanatohexanoylamino)ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-(6-isothiocyanatohexanoylamino)ethanoylamino]ethanoic acid Openeye Name: 2-[[2-(6-isothiocyanatohexanoylamino)acetyl]amino]acetic acid CAS Name: 2-[[2-[(6-isothiocyanato-1-oxohexyl)amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-(6-isothiocyanatohexanoylamino)acetyl]amino]acetic acid Traditional Name: 2-[[2-(6-isothiocyanatohexanoylamino)acetyl]amino]acetic acid Formula: C11H17N3O4S MolecularWeight: 287.33538

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(=O)NCC(=O)NCC(=O)O)CCN=C=S

Isomeric SMILES

C(CCC(=O)NCC(=O)NCC(=O)O)CCN=C=S

InChI

InChI=1S/C11H17N3O4S/c15-9(4-2-1-3-5-12-8-19)13-6-10(16)14-7-11(17)18/h1-7H2,(H,13,15)(H,14,16)(H,17,18)