4-[(2-azanylethanoylamino)methylamino]-2-methylsulfonyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-azanylethanoylamino)methylamino]-2-methylsulfonyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(2-aminoacetyl)amino]methylamino]-2-methylsulfonyl-4-oxo-butanoic acid CAS Name: 4-[[(2-amino-1-oxoethyl)amino]methylamino]-2-methylsulfonyl-4-oxobutanoic acid IUPAC Name: 4-[[(2-aminoacetyl)amino]methylamino]-2-methylsulfonyl-4-oxobutanoic acid Traditional Name: 4-[(glycylamino)methylamino]-4-keto-2-mesyl-butyric acid Formula: C8H15N3O6S MolecularWeight: 281.2862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(CC(=O)NCNC(=O)CN)C(=O)O

Isomeric SMILES

CS(=O)(=O)C(CC(=O)NCNC(=O)CN)C(=O)O

InChI

InChI=1S/C8H15N3O6S/c1-18(16,17)5(8(14)15)2-6(12)10-4-11-7(13)3-9/h5H,2-4,9H2,1H3,(H,10,12)(H,11,13)(H,14,15)