2-[[3-[(E)-4-azanyl-5-sulfanyl-pent-2-enoxy]naphthalen-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[3-[(E)-4-azanyl-5-sulfanyl-pent-2-enoxy]naphthalen-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[3-[(E)-4-amino-5-sulfanyl-pent-2-enoxy]naphthalene-2-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[3-[(E)-4-amino-5-mercaptopent-2-enoxy]-2-naphthalenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[3-[(E)-4-amino-5-sulfanylpent-2-enoxy]naphthalene-2-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[3-[(E)-4-amino-5-mercapto-pent-2-enoxy]-2-naphthoyl]amino]-4-(methylthio)butyric acid Formula: C21H26N2O4S2 MolecularWeight: 434.57214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC2=CC=CC=C2C=C1OCC=CC(CS)N

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC2=CC=CC=C2C=C1OC/C=C/C(CS)N

InChI

InChI=1S/C21H26N2O4S2/c1-29-10-8-18(21(25)26)23-20(24)17-11-14-5-2-3-6-15(14)12-19(17)27-9-4-7-16(22)13-28/h2-7,11-12,16,18,28H,8-10,13,22H2,1H3,(H,23,24)(H,25,26)/b7-4+