2-azanyl-2-(2-methyl-3-naphthalen-1-yl-propanoyl)-3-(1,3,4-thiadiazol-2-ylsulfanyl)hexanoic acid

Systemtic Name: 2-azanyl-2-(2-methyl-3-naphthalen-1-yl-propanoyl)-3-(1,3,4-thiadiazol-2-ylsulfanyl)hexanoic acid Openeye Name: 2-amino-2-[2-methyl-3-(1-naphthyl)propanoyl]-3-(1,3,4-thiadiazol-2-ylsulfanyl)hexanoic acid CAS Name: 2-amino-2-[2-methyl-3-(1-naphthalenyl)-1-oxopropyl]-3-(1,3,4-thiadiazol-2-ylthio)hexanoic acid IUPAC Name: 2-amino-2-(2-methyl-3-naphthalen-1-ylpropanoyl)-3-(1,3,4-thiadiazol-2-ylsulfanyl)hexanoic acid Traditional Name: 2-amino-2-[2-methyl-3-(1-naphthyl)propanoyl]-3-(1,3,4-thiadiazol-2-ylthio)hexanoic acid Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(=O)C(C)CC1=CC=CC2=CC=CC=C21)(C(=O)O)N)SC3=NN=CS3

Isomeric SMILES

CCCC(C(C(=O)C(C)CC1=CC=CC2=CC=CC=C21)(C(=O)O)N)SC3=NN=CS3

InChI

InChI=1S/C22H25N3O3S2/c1-3-7-18(30-21-25-24-13-29-21)22(23,20(27)28)19(26)14(2)12-16-10-6-9-15-8-4-5-11-17(15)16/h4-6,8-11,13-14,18H,3,7,12,23H2,1-2H3,(H,27,28)