3-(3-phenylbutylamino)-2-sulfo-propanoic acid

Systemtic Name: 3-(3-phenylbutylamino)-2-sulfo-propanoic acid Openeye Name: 3-(3-phenylbutylamino)-2-sulfo-propanoic acid CAS Name: 3-(3-phenylbutylamino)-2-sulfopropanoic acid IUPAC Name: 3-(3-phenylbutylamino)-2-sulfopropanoic acid Traditional Name: 3-(3-phenylbutylamino)-2-sulfo-propionic acid Formula: C13H19NO5S MolecularWeight: 301.35866

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNCC(C(=O)O)S(=O)(=O)O)C1=CC=CC=C1

Isomeric SMILES

CC(CCNCC(C(=O)O)S(=O)(=O)O)C1=CC=CC=C1

InChI

InChI=1S/C13H19NO5S/c1-10(11-5-3-2-4-6-11)7-8-14-9-12(13(15)16)20(17,18)19/h2-6,10,12,14H,7-9H2,1H3,(H,15,16)(H,17,18,19)