2-[4-(phenylmethylsulfanyl)butylamino]ethanoic acid

Systemtic Name: 2-[4-(phenylmethylsulfanyl)butylamino]ethanoic acid Openeye Name: 2-(4-benzylsulfanylbutylamino)acetic acid CAS Name: 2-[4-(phenylmethylthio)butylamino]acetic acid IUPAC Name: 2-(4-benzylsulfanylbutylamino)acetic acid Traditional Name: 2-[4-(benzylthio)butylamino]acetic acid Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCCNCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCCCCNCC(=O)O

InChI

InChI=1S/C13H19NO2S/c15-13(16)10-14-8-4-5-9-17-11-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2,(H,15,16)