Azotobactin
[CAS# 39748-05-5]

Identification

• Name: Azotobactin
• Synonyms: Azotobactin
• Molecular Formula: C₄₄H₅₉N₁₃O₂₃
• Molecular Weight: 1138.02
• CAS Registry Number: 39748-05-5
• SMILES: [C@@H](NC(=O)C2N3C1=C(NC(=O)N1CC2)C=C4C3=CC(=O)C(=C4)O)(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(O)C(=O)O)C(=O)O)CO)CCCNC(=O)N)CCO)CO)CCO)CC(=O)O
• InChI: 1S/C44H59N13O23/c45-43(79)46-6-1-2-18(34(69)52-23(15-60)33(68)47-14-29(64)55-31(41(75)76)32(67)42(77)78)48-35(70)19(4-8-58)50-38(73)24(16-61)53-36(71)20(5-9-59)49-37(72)21(12-30(65)66)51-39(74)25-3-7-56-40-22(54-44(56)80)10-17-11-27(62)28(63)13-26(17)57(25)40/h10-11,13,18-21,23-25,31-32,58-62,67H,1-9,12,14-16H2,(H,47,68)(H,48,70)(H,49,72)(H,50,73)(H,51,74)(H,52,69)(H,53,71)(H,54,80)(H,55,64)(H,65,66)(H,75,76)(H,77,78)(H3,45,46,79)/t18-,19-,20-,21-,23-,24-,25?,31-,32?/m0/s1
• InChIKey: HIIOEEFXLUSDLO-JBCSJTSVSA-N

Properties

• Density: 1.716g/cm³ (Cal.)