Trypanothione
[CAS# 96304-42-6]

Identification

• Name: Trypanothione
• Synonyms: (2S)-2-Amino-5-[[(4R,23R)-4-[[(4S)-4-Amino-5-Hydroxy-5-Oxo-Pentanoyl]Amino]-5,8,19,22-Tetraoxo-1,2-Dithia-6,9,13,18,21-Pentazacyclotetracos-23-Yl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(4R,23R)-4-[[(4S)-4-Amino-5-Hydroxy-1,5-Dioxopentyl]Amino]-5,8,1
• Molecular Formula: C₂₇H₄₇N₉O₁₀S₂
• Molecular Weight: 721.84
• CAS Registry Number: 96304-42-6
• SMILES: [C@@H]1(NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)NCCCCNCCCNC(=O)CNC(=O)[C@@H](NC(=O)CC[C@H](N)C(=O)O)CSSC1
• InChI: 1S/C27H47N9O10S2/c28-16(26(43)44)4-6-20(37)35-18-14-47-48-15-19(36-21(38)7-5-17(29)27(45)46)25(42)34-13-23(40)32-11-3-9-30-8-1-2-10-31-22(39)12-33-24(18)41/h16-19,30H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t1
• InChIKey: LZMSXDHGHZKXJD-VJANTYMQSA-N