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2-[(6-azanylpyridin-3-yl)methyl]-3-sulfanyl-5-(thiolan-2-yl)pentanoic acid

2-[(6-azanylpyridin-3-yl)methyl]-3-sulfanyl-5-(thiolan-2-yl)pentanoic acid

Systemtic Name:2-[(6-azanylpyridin-3-yl)methyl]-3-sulfanyl-5-(thiolan-2-yl)pentanoic acid
Openeye Name:2-[(6-amino-3-pyridyl)methyl]-3-sulfanyl-5-tetrahydrothiophen-2-yl-pentanoic acid
CAS Name:2-[(6-amino-3-pyridinyl)methyl]-3-mercapto-5-(2-thiolanyl)pentanoic acid
IUPAC Name:2-[(6-aminopyridin-3-yl)methyl]-3-sulfanyl-5-(thiolan-2-yl)pentanoic acid
Traditional Name:2-[(6-amino-3-pyridyl)methyl]-3-mercapto-5-tetrahydrothiophen-2-yl-valeric acid
Formula: C15H22N2O2S2
MolecularWeight: 326.47738
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(SC1)CCC(C(CC2=CN=C(C=C2)N)C(=O)O)S


Isomeric SMILES

C1CC(SC1)CCC(C(CC2=CN=C(C=C2)N)C(=O)O)S


InChI

InChI=1S/C15H22N2O2S2/c16-14-6-3-10(9-17-14)8-12(15(18)19)13(20)5-4-11-2-1-7-21-11/h3,6,9,11-13,20H,1-2,4-5,7-8H2,(H2,16,17)(H,18,19)


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