Mycobactin
[CAS# 1400-46-0]

Identification

• Name: Mycobactin
• Synonyms: [3-[(1-Hydroxy-2-Oxo-Azepan-3-Yl)Amino]-3-Oxo-Propyl] 7-(Formyl-Hydroxy-Amino)-2-[[(2Z)-2-(6-Oxo-1-Cyclohexa-2,4-Dienylidene)Oxazolidine-4-Carbonyl]Amino]Heptanoate; 7-(Formyl-Hydroxyamino)-2-[[Oxo-[(2Z)-2-(6-Oxo-1-Cyclohexa-2,4-Dienylidene)-4-Oxazolidinyl]Methyl]Amino]Heptanoic Acid [3-[(1-Hydroxy-2-Oxo-3-Azepanyl)Amino]-3-Oxopropyl] Ester; 7-(Formyl-Hydroxy-Amino)-2-[[(2Z)-2-(6-Keto-1-Cyclohexa-2,4-Dienylidene)Oxazolidine-4-Carbonyl]Amino]Enanthic Acid [3-[(1-Hydroxy-2-Keto-Azepan-3-Yl)Amino]-3-Keto-Propyl] Ester
• Molecular Formula: C₂₇H₃₇N₅O₁₀
• Molecular Weight: 591.62
• CAS Registry Number: 1400-46-0
• SMILES: C(C(NC(=O)C1NC(/OC1)=C2/C(=O)C=CC=C2)C(OCCC(=O)NC3CCCCN(O)C3=O)=O)CCCCN(O)C=O
• InChI: 1S/C27H37N5O10/c33-17-31(39)13-6-1-2-10-20(29-24(36)21-16-42-25(30-21)18-8-3-4-11-22(18)34)27(38)41-15-12-23(35)28-19-9-5-7-14-32(40)26(19)37/h3-4,8,11,17,19-21,30,39-40H,1-2,5-7,9-10,12-16H2,(H,28,35)(H,29,36)/b25-18-
• InChIKey: NGQYHMUFXKSYFU-BWAHOGKJSA-N

Properties

• Density: 1.414g/cm³ (Cal.)