1-[2-[(3-azanyl-5-methylsulfanyl-2-oxidanyl-pentanoyl)amino]ethyl]-4-(sulfinatoamino)benzene hydrochloride

Systemtic Name: 1-[2-[(3-azanyl-5-methylsulfanyl-2-oxidanyl-pentanoyl)amino]ethyl]-4-(sulfinatoamino)benzene hydrochloride Openeye Name: 1-[2-[(3-amino-2-hydroxy-5-methylsulfanyl-pentanoyl)amino]ethyl]-4-(sulfinatoamino)benzene hydrochloride CAS Name: 1-[2-[[3-amino-2-hydroxy-5-(methylthio)-1-oxopentyl]amino]ethyl]-4-(sulfinatoamino)benzene hydrochloride IUPAC Name: 1-[2-[(3-amino-2-hydroxy-5-methylsulfanylpentanoyl)amino]ethyl]-4-(sulfinatoamino)benzene hydrochloride Traditional Name: 1-[2-[[3-amino-2-hydroxy-5-(methylthio)pentanoyl]amino]ethyl]-4-(sulfinatoamino)benzene hydrochloride Formula: C14H23ClN3O4S2- MolecularWeight: 396.93312

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(C(=O)NCCC1=CC=C(C=C1)NS(=O)[O-])O)N.Cl

Isomeric SMILES

CSCCC(C(C(=O)NCCC1=CC=C(C=C1)NS(=O)[O-])O)N.Cl

InChI

InChI=1S/C14H23N3O4S2.ClH/c1-22-9-7-12(15)13(18)14(19)16-8-6-10-2-4-11(5-3-10)17-23(20)21;/h2-5,12-13,17-18H,6-9,15H2,1H3,(H,16,19)(H,20,21);1H/p-1