3-azanyl-4-oxidanylidene-4-[1-[(2,2,4,4-tetramethylthietan-3-yl)carbonylamino]ethylamino]butanoic acid

Systemtic Name: 3-azanyl-4-oxidanylidene-4-[1-[(2,2,4,4-tetramethylthietan-3-yl)carbonylamino]ethylamino]butanoic acid Openeye Name: 3-amino-4-oxo-4-[1-[(2,2,4,4-tetramethylthietane-3-carbonyl)amino]ethylamino]butanoic acid CAS Name: 3-amino-4-oxo-4-[1-[[oxo-(2,2,4,4-tetramethyl-3-thietanyl)methyl]amino]ethylamino]butanoic acid IUPAC Name: 3-amino-4-oxo-4-[1-[(2,2,4,4-tetramethylthietane-3-carbonyl)amino]ethylamino]butanoic acid Traditional Name: 3-amino-4-keto-4-[1-[(2,2,4,4-tetramethylthietane-3-carbonyl)amino]ethylamino]butyric acid Formula: C14H25N3O4S MolecularWeight: 331.431

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=O)C1C(SC1(C)C)(C)C)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC(NC(=O)C1C(SC1(C)C)(C)C)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C14H25N3O4S/c1-7(16-11(20)8(15)6-9(18)19)17-12(21)10-13(2,3)22-14(10,4)5/h7-8,10H,6,15H2,1-5H3,(H,16,20)(H,17,21)(H,18,19)