Summary

Molecular formula: C9H15N3O2S
SMILES: [O-]C(=O)[C@@H]([N+](C)(C)C)Cc1c[nH]c(=S)[nH]1
InChI: InChI=1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/m0/s1
InChIKey: SSISHJJTAXXQAX-ZETCQYMHSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
S=c1[nH]cc[nH]1

Scaffold Graph/Node level:
SC1NCCN1

Scaffold Graph level:
CC1CCCC1

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Chemical classification

Kingdom: Organic compounds
Super class: Organic acids and derivatives
Class: Carboxylic acids and derivatives
Sub class: Amino acids, peptides, and analogues

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Synonymous chemical names:
l-ergothioneine

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External chemical identifiers:
CID_5351619; CAS_497-30-3; CHEMSPIDER_4508619; Molport_MolPort-046-767-503

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Chemical structure download