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(6S)-8-(aminomethylsulfanyl)-6-(2-hydroxyethyldisulfanyl)octanoic acid

Systemtic Name:	(6S)-8-(aminomethylsulfanyl)-6-(2-hydroxyethyldisulfanyl)octanoic acid
Openeye Name:	(6S)-8-(aminomethylsulfanyl)-6-(2-hydroxyethyldisulfanyl)octanoic acid
CAS Name:	(6S)-8-(aminomethylthio)-6-(2-hydroxyethyldisulfanyl)octanoic acid
IUPAC Name:	(6S)-8-(aminomethylsulfanyl)-6-(2-hydroxyethyldisulfanyl)octanoic acid
Traditional Name:	(6S)-8-(aminomethylthio)-6-(2-hydroxyethyldisulfanyl)caprylic acid
Formula:	C₁₁H₂₃NO₃S₃
MolecularWeight:	313.50022

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(=O)O)CC(CCSCN)SSCCO

Isomeric SMILES

C(CCC(=O)O)C[C@@H](CCSCN)SSCCO

InChI

InChI=1S/C11H23NO3S3/c12-9-16-7-5-10(18-17-8-6-13)3-1-2-4-11(14)15/h10,13H,1-9,12H2,(H,14,15)/t10-/m0/s1

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