Alterobactin A
[CAS# 153888-52-9]

Identification

• Name: Alterobactin A
• Synonyms: alterobactin A
• Molecular Formula: C₃₆H₅₃N₁₁O₁₈
• Molecular Weight: 927.87
• CAS Registry Number: 153888-52-9
• SMILES: Oc1cccc(c1O)C(=O)NCCCC[C@H](N)[C@H](O)CC(=O)N[C@@H]2COC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC2=O)CCCNC(N)=[N@H])[C@H](O)C(O)=O)[C@H](O)C(O)=O
• InChI: 1S/C36H53N11O18/c37-16(6-1-2-9-40-29(56)15-5-3-8-19(48)26(15)53)20(49)11-21(50)45-18-14-65-35(64)25(28(55)34(62)63)46-23(52)13-43-32(59)24(27(54)33(60)61)47-31(58)17(7-4-10-41-36(38)39)44-22(51)12-42-30(18)57/h3,5,8,16-18,20,24-25,27-28,48-49,53-55H,1-2,4,6-7,9-14,37H2,(H,40,56)(H,42,57)(H,43,59)(H,44,51)(H,45,50)(H,46,52)(H,47,58)(H,60,61)(H,62,63)(H4,38,39,41)/t16-,17-,18+,20+,24-,25-,27-,28-/m0/s1
• InChIKey: RJOBMSXUHGCZMZ-ZMADFQCXSA-N

Properties

• Density: 1.717g/cm³ (Cal.)
• Refractive index: 1.702 (Cal.)