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Enterotoxin, Vibrio Mimicus [100007-57-6]

 
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Identification
Copyright
CAS # 100007-57-6, Enterotoxin, Vibrio Mimicus
Name
Enterotoxin, Vibrio Mimicus
Synonyms
Ile-Asp-Cys-Cys-Glu-Ile-Cys-Cys-Asn-Pro-Ala-Cys-Phe-Gly-Cys-Leu-Asn; Toxin, Entero- (Escherichia Coli Strain 18D Heat-Stable Reduced) 1-De-L-Asparagine-2-De-L-Threonine-3-L-Isoleucine-4-L-Aspartic Acid-, 8-L-Isoleucine-15-L-Phenylalanine-18-L-Leucine-18A-L-Asparagine-; Vibrio Mimicus Heat-Stable Enterotoxin
Molecular Formula
C72H113N19O24S6
Molecular Weight 1821.16
CAS Registry Number
100007-57-6
SMILES
[C@@H](N)(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)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)N)CC(C)C)CS)CC1=CC=CC=C1)CS)CCC2)CC(=O)N)CS)CS)[C@@H](C)CC)CCC(=O)O)CS)CS)CC(=O)O)[C@@H](C)CC
InChI
1S/C72H113N19O24S6/c1-8-33(5)55(75)69(111)82-40(24-54(97)98)61(103)86-47(30-120)66(108)87-45(28-118)63(105)79-37(17-18-53(95)96)59(101)90-56(34(6)9-2)70(112)89-48(31-121)67(109)88-46(29-119)65(107)83-41(22-50(73)92)71(113)91-19-13-16-49(91)68(110)77-35(7)57(99)85-44(27-117)64(106)81-39(21-36-14-11-10-12-15-36)58(100)76-25-52(94)78-43(26-116)62(104)80-38(20-32(3)4)60(102)84-42(72(114)115)23-51(74)93/h10-12,14-15,32-35,37-49,55-56,116-121H,8-9,13,16-31,75H2,1-7H3,(H2,73,92)(H2,74,93)(H,76,100)(H,77,110)(H,78,94)(H,79,105)(H,80,104)(H,81,106)(H,82,111)(H,83,107)(H,84,102)(H,85,99)(H,86,103)(H,87,108)(H,88,109)(H,89,112)(H,90,101)(H,95,96)(H,97,98)(H,114,115)/t33-,34-,35-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,55-,56-/m0/s1
InChIKey MYTWXYLBLUEQKJ-RAALKQJNSA-N
down Properties
Desity 1.366g/cm3 (Cal.)  ref.
Boiling point 2068.5°C at 760 mmHg (Cal.)  ref.
Flash point 1204.8°C (Cal.)  ref.
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