(2R)-2-acetamido-3-sulfanyl-propanoic acid; 3-morpholin-4-yl-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine

Systemtic Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; 3-morpholin-4-yl-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine Openeye Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; 3-morpholino-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine CAS Name: (2R)-2-acetamido-3-mercaptopropanoic acid; 3-(4-morpholinyl)-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine IUPAC Name: (2R)-2-acetamido-3-sulfanylpropanoic acid; 3-morpholin-4-yl-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine Traditional Name: (2R)-2-acetamido-3-mercapto-propionic acid; (3-morpholino-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-ylidene)amine Formula: C11H19N5O5S MolecularWeight: 333.36406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS)C(=O)O.C1COCCN1[N+]2=CC(=N)O[N-]2

Isomeric SMILES

CC(=O)N[C@@H](CS)C(=O)O.C1COCCN1[N+]2=CC(=N)O[N-]2

InChI

InChI=1S/C6H10N4O2.C5H9NO3S/c7-6-5-10(8-12-6)9-1-3-11-4-2-9;1-3(7)6-4(2-10)5(8)9/h5,7H,1-4H2;4,10H,2H2,1H3,(H,6,7)(H,8,9)/t;4-/m.0/s1