3-[[(2S)-1-(cyclohexylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[(2S)-1-(cyclohexylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]amino]propane-1-sulfonic acid Openeye Name: 3-[[(1S)-1-(cyclohexylcarbamoyl)-3-methyl-butyl]amino]propane-1-sulfonic acid CAS Name: 3-[[(2S)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[(2S)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]amino]propane-1-sulfonic acid Traditional Name: 3-[[(1S)-1-(cyclohexylcarbamoyl)-3-methyl-butyl]amino]propane-1-sulfonic acid Formula: C15H30N2O4S MolecularWeight: 334.4747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCCC1)NCCCS(=O)(=O)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1CCCCC1)NCCCS(=O)(=O)O

InChI

InChI=1S/C15H30N2O4S/c1-12(2)11-14(16-9-6-10-22(19,20)21)15(18)17-13-7-4-3-5-8-13/h12-14,16H,3-11H2,1-2H3,(H,17,18)(H,19,20,21)/t14-/m0/s1