(2R)-2-azanyl-3-[3-(6-isothiocyanatohexyl)phenyl]sulfanyl-propanoic acid

Systemtic Name: (2R)-2-azanyl-3-[3-(6-isothiocyanatohexyl)phenyl]sulfanyl-propanoic acid Openeye Name: (2R)-2-amino-3-[3-(6-isothiocyanatohexyl)phenyl]sulfanyl-propanoic acid CAS Name: (2R)-2-amino-3-[[3-(6-isothiocyanatohexyl)phenyl]thio]propanoic acid IUPAC Name: (2R)-2-amino-3-[3-(6-isothiocyanatohexyl)phenyl]sulfanylpropanoic acid Traditional Name: (2R)-2-amino-3-[[3-(6-isothiocyanatohexyl)phenyl]thio]propionic acid Formula: C16H22N2O2S2 MolecularWeight: 338.48808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SCC(C(=O)O)N)CCCCCCN=C=S

Isomeric SMILES

C1=CC(=CC(=C1)SC[C@@H](C(=O)O)N)CCCCCCN=C=S

InChI

InChI=1S/C16H22N2O2S2/c17-15(16(19)20)11-22-14-8-5-7-13(10-14)6-3-1-2-4-9-18-12-21/h5,7-8,10,15H,1-4,6,9,11,17H2,(H,19,20)/t15-/m0/s1