Summary

Molecular formula: C15H20N2O4S2
SMILES: CS[C@]12CC3=CC=C[C@@H]([C@H]3N2C(=O)[C@](N(C1=O)C)(SC)CO)O
InChI: InChI=1S/C15H20N2O4S2/c1-16-12(20)14(22-2)7-9-5-4-6-10(19)11(9)17(14)13(21)15(16,8-18)23-3/h4-6,10-11,18-19H,7-8H2,1-3H3/t10-,11-,14+,15+/m0/s1
InChIKey: OVBAGMZLGLXSBN-UOVKNHIHSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1NCC(=O)N2C1CC1=CC=CCC12

Scaffold Graph/Node level:
OC1NCC(O)N2C3CCCCC3CC12

Scaffold Graph level:
CC1CCC(C)C2C1CC1CCCCC12

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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:
methylthiogliotoxin

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External chemical identifiers:
ZINC_ZINC000005599818; Molport_MolPort-004-964-456

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Chemical structure download