2-(11-ethylsulfanylundecanoylamino)-4-methyl-pentanoic acid

Systemtic Name: 2-(11-ethylsulfanylundecanoylamino)-4-methyl-pentanoic acid Openeye Name: 2-(11-ethylsulfanylundecanoylamino)-4-methyl-pentanoic acid CAS Name: 2-[[11-(ethylthio)-1-oxoundecyl]amino]-4-methylpentanoic acid IUPAC Name: 2-(11-ethylsulfanylundecanoylamino)-4-methylpentanoic acid Traditional Name: 2-[11-(ethylthio)undecanoylamino]-4-methyl-valeric acid Formula: C19H37NO3S MolecularWeight: 359.56698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCCCCCCCCCCC(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CCSCCCCCCCCCCC(=O)NC(CC(C)C)C(=O)O

InChI

InChI=1S/C19H37NO3S/c1-4-24-14-12-10-8-6-5-7-9-11-13-18(21)20-17(19(22)23)15-16(2)3/h16-17H,4-15H2,1-3H3,(H,20,21)(H,22,23)