[(5S)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]azanium; 2-(4-thiophen-2-ylcarbonylphenyl)propanoate

Systemtic Name: [(5S)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]azanium; 2-(4-thiophen-2-ylcarbonylphenyl)propanoate Openeye Name: [(5S)-5-amino-6-hydroxy-6-oxo-hexyl]ammonium; 2-[4-(thiophene-2-carbonyl)phenyl]propanoate CAS Name: [(5S)-5-amino-6-hydroxy-6-oxohexyl]ammonium; 2-[4-[oxo(thiophen-2-yl)methyl]phenyl]propanoate IUPAC Name: [(5S)-5-amino-6-hydroxy-6-oxohexyl]azanium; 2-[4-(thiophene-2-carbonyl)phenyl]propanoate Traditional Name: [(5S)-5-amino-6-hydroxy-6-keto-hexyl]ammonium; 2-[4-(2-thenoyl)phenyl]propionate Formula: C20H26N2O5S MolecularWeight: 406.49584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)[O-].C(CC[NH3+])CC(C(=O)O)N

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)[O-].C(CC[NH3+])C[C@@H](C(=O)O)N

InChI

InChI=1S/C14H12O3S.C6H14N2O2/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12;7-4-2-1-3-5(8)6(9)10/h2-9H,1H3,(H,16,17);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1