2-azanyl-3-[4-(2-ethylbutanoylamino)butylamino]-3-oxidanylidene-propane-1-sulfonic acid

Systemtic Name: 2-azanyl-3-[4-(2-ethylbutanoylamino)butylamino]-3-oxidanylidene-propane-1-sulfonic acid Openeye Name: 2-amino-3-[4-(2-ethylbutanoylamino)butylamino]-3-oxo-propane-1-sulfonic acid CAS Name: 2-amino-3-[4-[(2-ethyl-1-oxobutyl)amino]butylamino]-3-oxo-1-propanesulfonic acid IUPAC Name: 2-amino-3-[4-(2-ethylbutanoylamino)butylamino]-3-oxopropane-1-sulfonic acid Traditional Name: 2-amino-3-[4-(2-ethylbutanoylamino)butylamino]-3-keto-propane-1-sulfonic acid Formula: C13H27N3O5S MolecularWeight: 337.43558

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NCCCCNC(=O)C(CS(=O)(=O)O)N

Isomeric SMILES

CCC(CC)C(=O)NCCCCNC(=O)C(CS(=O)(=O)O)N

InChI

InChI=1S/C13H27N3O5S/c1-3-10(4-2)12(17)15-7-5-6-8-16-13(18)11(14)9-22(19,20)21/h10-11H,3-9,14H2,1-2H3,(H,15,17)(H,16,18)(H,19,20,21)