2-[3-azanyl-5-[(phenylmethylsulfanyl)methyl]phenyl]pentanoic acid

Systemtic Name: 2-[3-azanyl-5-[(phenylmethylsulfanyl)methyl]phenyl]pentanoic acid Openeye Name: 2-[3-amino-5-(benzylsulfanylmethyl)phenyl]pentanoic acid CAS Name: 2-[3-amino-5-[(phenylmethylthio)methyl]phenyl]pentanoic acid IUPAC Name: 2-[3-amino-5-(benzylsulfanylmethyl)phenyl]pentanoic acid Traditional Name: 2-[3-amino-5-[(benzylthio)methyl]phenyl]valeric acid Formula: C19H23NO2S MolecularWeight: 329.45642

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC(=CC(=C1)CSCC2=CC=CC=C2)N)C(=O)O

Isomeric SMILES

CCCC(C1=CC(=CC(=C1)CSCC2=CC=CC=C2)N)C(=O)O

InChI

InChI=1S/C19H23NO2S/c1-2-6-18(19(21)22)16-9-15(10-17(20)11-16)13-23-12-14-7-4-3-5-8-14/h3-5,7-11,18H,2,6,12-13,20H2,1H3,(H,21,22)