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2-[1,4-dithiepan-6-yl-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid

2-[1,4-dithiepan-6-yl-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid

Systemtic Name:2-[1,4-dithiepan-6-yl-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid
Openeye Name:2-[1,4-dithiepan-6-yl-(2-methyl-3-sulfanyl-propanoyl)amino]acetic acid
CAS Name:2-[1,4-dithiepan-6-yl-(3-mercapto-2-methyl-1-oxopropyl)amino]acetic acid
IUPAC Name:2-[1,4-dithiepan-6-yl-(2-methyl-3-sulfanylpropanoyl)amino]acetic acid
Traditional Name:2-[1,4-dithiepan-6-yl-(3-mercapto-2-methyl-propanoyl)amino]acetic acid
Formula: C11H19NO3S3
MolecularWeight: 309.46846
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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N(CC(=O)O)C1CSCCSC1


Isomeric SMILES

CC(CS)C(=O)N(CC(=O)O)C1CSCCSC1


InChI

InChI=1S/C11H19NO3S3/c1-8(5-16)11(15)12(4-10(13)14)9-6-17-2-3-18-7-9/h8-9,16H,2-7H2,1H3,(H,13,14)


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