Tyrocidine A
[CAS# 1481-70-5]

Identification

• Name: Tyrocidine A
• Synonyms: Tyrocidine A; Tyrocidine A, Hydrochloride
• Molecular Formula: C₆₆H₈₇N₁₃O₁₃
• Molecular Weight: 1270.49
• CAS Registry Number: 1481-70-5
• SMILES: [C@@H](C=O)(NC([C@@H](NC([C@H]1N(CCC1)C([C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CC(=O)N)=O)CCC(=O)N)=O)CC2=CC=C(O)C=C2)=O)C(C)=C)=O)CCCN)=O)CC(C)C)=O)CC3=CC=CC=C3)=O)=O)CC4=CC=CC=C4)=O)CC5=CC=CC=C5
• InChI: 1S/C66H87N13O13/c1-39(2)32-50(62(88)77-53(36-43-20-12-7-13-21-43)66(92)79-31-15-23-54(79)64(90)76-51(34-42-18-10-6-11-19-42)61(87)71-45(38-80)33-41-16-8-5-9-17-41)74-59(85)48(22-14-30-67)73-65(91)57(40(3)4)78-63(89)52(35-44-24-26-46(81)27-25-44)75-60(86)49(28-29-55(69)82)72-58(84)47(68)37-56(70)83/h5-13,16-21,24-27,38-39,45,47-54,57,81H,3,14-15,22-23,28-37,67-68H2,1-2,4H3,(H2,69,82)(H2,70,83)(H,71,87)(H,72,84)(H,73,91)(H,74,85)(H,75,86)(H,76,90)(H,77,88)(H,78,89)/t45-,47+,48+,49+,50+,51+,52+,53-,54+,57+/m1/s1
• InChIKey: RNYCIGPDZRCZCZ-RGCPQTOTSA-N

Properties

• Density: 1.27g/cm³ (Cal.)
• Boiling point: 1615.3°C at 760 mmHg (Cal.)
• Flash point: 930.7°C (Cal.)