Gramicidin S Hydrochloride
[CAS# 15207-30-4]

Identification

• Name: Gramicidin S Hydrochloride
• Synonyms: Gramicidin S Dihydrochloride; Gramicidin S Hydrochloride; Gramicidin S Hydrochloride (Jan)
• Molecular Formula: C₆₀H₉₄Cl₂N₁₂O₁₀
• Molecular Weight: 1214.38
• CAS Registry Number: 15207-30-4
• SMILES: N1[C@@H](C(=O)N4[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C1=O)CC(C)C)CCCN)C(C)C)CCC2)CC3=CC=CC=C3)CC(C)C)CCCN)C(C)C)CCC4)CC5=CC=CC=C5.[H+].[H+].[Cl-].[Cl-]
• InChI: 1S/C60H92N12O10.2ClH/c1-35(2)31-43-53(75)67-45(33-39-19-11-9-12-20-39)59(81)71-29-17-25-47(71)55(77)70-50(38(7)8)58(80)64-42(24-16-28-62)52(74)66-44(32-36(3)4)54(76)68-46(34-40-21-13-10-14-22-40)60(82)72-30-18-26-48(72)56(78)69-49(37(5)6)57(79)63-41(23-15-27-61)51(73)65-43;;/h9-14,19-22,35-38,41-50H,15-18,23-34,61-62H2,1-8H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,78)(H,70,77);2*1H/t41-,42-,43-,44-,45+,46+,47-,48-,49-,50-;;/m0../s1
• InChIKey: KCUAVDXLFXNGDG-MZFDKZDRSA-N

Properties

• Boiling point: 1394.8°C at 760 mmHg (Cal.)
• Flash point: 797.4°C (Cal.)