2-azanyl-8-(carboxymethylamino)-5,8-bis(oxidanylidene)-7-(sulfanylmethyl)octanoic acid

Systemtic Name: 2-azanyl-8-(carboxymethylamino)-5,8-bis(oxidanylidene)-7-(sulfanylmethyl)octanoic acid Openeye Name: 2-amino-8-(carboxymethylamino)-5,8-dioxo-7-(sulfanylmethyl)octanoic acid CAS Name: 2-amino-8-(carboxymethylamino)-7-(mercaptomethyl)-5,8-dioxooctanoic acid IUPAC Name: 2-amino-8-(carboxymethylamino)-5,8-dioxo-7-(sulfanylmethyl)octanoic acid Traditional Name: 2-amino-8-(carboxymethylamino)-5,8-diketo-7-(mercaptomethyl)caprylic acid Formula: C11H18N2O6S MolecularWeight: 306.33542

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)CC(CS)C(=O)NCC(=O)O)C(C(=O)O)N

Isomeric SMILES

C(CC(=O)CC(CS)C(=O)NCC(=O)O)C(C(=O)O)N

InChI

InChI=1S/C11H18N2O6S/c12-8(11(18)19)2-1-7(14)3-6(5-20)10(17)13-4-9(15)16/h6,8,20H,1-5,12H2,(H,13,17)(H,15,16)(H,18,19)