2-azanyl-3-naphthalen-1-ylcarbonylsulfanyl-propanoic acid hydrate

Systemtic Name: 2-azanyl-3-naphthalen-1-ylcarbonylsulfanyl-propanoic acid hydrate Openeye Name: 2-amino-3-(naphthalene-1-carbonylsulfanyl)propanoic acid hydrate CAS Name: 2-amino-3-[[1-naphthalenyl(oxo)methyl]thio]propanoic acid hydrate IUPAC Name: 2-amino-3-(naphthalene-1-carbonylsulfanyl)propanoic acid hydrate Traditional Name: 2-amino-3-(1-naphthoylthio)propionic acid hydrate Formula: C28H28N2O7S2 MolecularWeight: 568.66112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)SCC(C(=O)O)N.C1=CC=C2C(=C1)C=CC=C2C(=O)SCC(C(=O)O)N.O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)SCC(C(=O)O)N.C1=CC=C2C(=C1)C=CC=C2C(=O)SCC(C(=O)O)N.O

InChI

InChI=1S/2C14H13NO3S.H2O/c2*15-12(13(16)17)8-19-14(18)11-7-3-5-9-4-1-2-6-10(9)11;/h2*1-7,12H,8,15H2,(H,16,17);1H2