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Gramicidin S
[CAS# 113-73-5]

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Identification
Name Gramicidin S
Synonyms Cyclo(L-Valyl-L-Ornithyl-L-Leucyl-D-Phenylalanyl-L-Prolyl-L-Valyl-L-Ornithyl-L-Leucyl-D-Phenylalanyl-L-Prolyl); Gramacidine S [Inn-French]; Gramicidin S
Molecular Structure CAS#: 113-73-5, Gramicidin S
Molecular Formula C60H92N12O10
Molecular Weight 1141.46
CAS Registry Number 113-73-5
SMILES [C@@H]15N(C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]3N(C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)CCCN)CC(C)C)CC2=CC=CC=C2)CCC3)C(C)C)CCCN)CC(C)C)CC4=CC=CC=C4)CCC5
InChI 1S/C60H92N12O10/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)/t41-,42-,43-,44-,45+,46+,47-,48-,49-,50-/m0/s1
InChIKey IUAYMJGZBVDSGL-XNNAEKOYSA-N
Properties
Desity 1.241g/cm3 (Cal.)
Boiling point 1394.812°C at 760 mmHg (Cal.)
Flash point 797.353°C (Cal.)
Safety Data
Safety Description Safety glasses; treat as potentially harmful.
References
(1) Schmelz et al.. AcsD catalyzes enantioselective citrate desymmetrization in siderophore biosynthesis, Nature Chemical Biology, 2009
Market Analysis Reports
List of Reports Available for Gramicidin S
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