2,6-bis(azanyl)hexanoic acid; 2-(4-thiophen-2-ylcarbonylphenyl)propanoic acid

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; 2-(4-thiophen-2-ylcarbonylphenyl)propanoic acid Openeye Name: 2,6-diaminohexanoic acid; 2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid CAS Name: 2,6-diaminohexanoic acid; 2-[4-[oxo(thiophen-2-yl)methyl]phenyl]propanoic acid IUPAC Name: 2,6-diaminohexanoic acid; 2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid Traditional Name: 2,6-diaminohexanoic acid; 2-[4-(2-thenoyl)phenyl]propionic acid Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O.C(CCN)CC(C(=O)O)N

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O.C(CCN)CC(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)