2-azanyl-3-(ethylsulfanylmethyl)-4,4,4-tris(hydroxymethylamino)butanoic acid

Systemtic Name: 2-azanyl-3-(ethylsulfanylmethyl)-4,4,4-tris(hydroxymethylamino)butanoic acid Openeye Name: 2-amino-3-(ethylsulfanylmethyl)-4,4,4-tris(hydroxymethylamino)butanoic acid CAS Name: 2-amino-3-[(ethylthio)methyl]-4,4,4-tris(hydroxymethylamino)butanoic acid IUPAC Name: 2-amino-3-(ethylsulfanylmethyl)-4,4,4-tris(hydroxymethylamino)butanoic acid Traditional Name: 2-amino-3-[(ethylthio)methyl]-4,4,4-tris(methylolamino)butyric acid Formula: C10H24N4O5S MolecularWeight: 312.38636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCC(C(C(=O)O)N)C(NCO)(NCO)NCO

Isomeric SMILES

CCSCC(C(C(=O)O)N)C(NCO)(NCO)NCO

InChI

InChI=1S/C10H24N4O5S/c1-2-20-3-7(8(11)9(18)19)10(12-4-15,13-5-16)14-6-17/h7-8,12-17H,2-6,11H2,1H3,(H,18,19)