2-azanylethanesulfonic acid; (2S)-2-azanyl-5-(ethylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanylethanesulfonic acid; (2S)-2-azanyl-5-(ethylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 2-aminoethanesulfonic acid; (2S)-2-amino-5-(ethylamino)-5-oxo-pentanoic acid CAS Name: 2-aminoethanesulfonic acid; (2S)-2-amino-5-(ethylamino)-5-oxopentanoic acid IUPAC Name: 2-aminoethanesulfonic acid; (2S)-2-amino-5-(ethylamino)-5-oxopentanoic acid Traditional Name: 2-aminoethanesulfonic acid; (2S)-2-amino-5-(ethylamino)-5-keto-valeric acid Formula: C9H21N3O6S MolecularWeight: 299.34454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CCC(C(=O)O)N.C(CS(=O)(=O)O)N

Isomeric SMILES

CCNC(=O)CC[C@@H](C(=O)O)N.C(CS(=O)(=O)O)N

InChI

InChI=1S/C7H14N2O3.C2H7NO3S/c1-2-9-6(10)4-3-5(8)7(11)12;3-1-2-7(4,5)6/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12);1-3H2,(H,4,5,6)/t5-;/m0./s1