Chem
J-GLOBAL ID:200907034415421160   Nikkaji number:J1.249.098D

BA16Lipoa

N-Boc-Ala-2,2-ジメチル-Gly-Ala-2,2-ジメチル-Gly-Ala-2,2-ジメチル-Gly-Ala-2,2-ジメチル-Gly-Ala-2,2-ジメチル-Gly-Ala-2,2-ジメチル-Gly-Ala-2,2-ジメチル-Gly-Ala-2,2-ジメチル-Gly-N-[5-(1,2-ジチオラン-3-イル)ペンチル]-NH2
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C69H121N17O18S2
Molecular formula furigana: C69-H121-N17-O18-S2
Molecular weight: 1540.950
InChI: InChI=1S/C69H121N17O18S2/c1-35(44(87)79-62(12,13)52(95)70-33-30-28-29-31-43-32-34-105-106-43)71-53(96)63(14,15)80-45(88)36(2)72-54(97)64(16,17)81-46(89)37(3)73-55(98)65(18,19)82-47(90)38(4)74-56(99)66(20,21)83-48(91)39(5)75-57(100)67(22,23)84-49(92)40(6)76-58(101)68(24,25)85-50(93)41(7)77-59(102)69(26,27)86-51(94)42(8)78-60(103)104-61(9,10)11/h35-43H,28-34H2,1-27H3,(H,70,95)(H,71,96)(H,72,97)(H,73,98)(H,74,99)(H,75,100)(H,76,101)(H,77,102)(H,78,103)(H,79,87)(H,80,88)(H,81,89)(H,82,90)(H,83,91)(H,84,92)(H,85,93)(H,86,94)/t35-,36-,37-,38-,39-,40-,41-,42-,43?/m0/s1
InChI key: RPLLENUGKZNRND-YHEPYQDNSA-N
SMILES: C[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)NCCCCCC1CCSS1
Systematic name  (2):
  • N-Boc-Ala-2,2-ジメチル-Gly-Ala-2,2-ジメチル-Gly-Ala-2,2-ジメチル-Gly-Ala-2,2-ジメチル-Gly-Ala-2,2-ジメチル-Gly-Ala-2,2-ジメチル-Gly-Ala-2,2-ジメチル-Gly-Ala-2,2-ジメチル-Gly-N-[5-(1,2-ジチオラン-3-イル)ペンチル]-NH2
  • Boc-L-Ala-2-メチル-L-Ala-L-Ala-2-メチル-L-Ala-L-Ala-2-メチル-L-Ala-L-Ala-2-メチル-L-Ala-L-Ala-2-メチル-L-Ala-L-Ala-2-メチル-L-Ala-L-Ala-2-メチル-L-Ala-L-Ala-2-メチル-L-Ala-[5-(1,2-ジチオラン-3-イル)ペンチル]NH2
Other name (4):
  • N-Boc-Ala-2,2-Dimethyl-Gly-Ala-2,2-dimethyl-Gly-Ala-2,2-dimethyl-Gly-Ala-2,2-dimethyl-Gly-Ala-2,2-dimethyl-Gly-Ala-2,2-dimethyl-Gly-Ala-2,2-dimethyl-Gly-Ala-2,2-dimethyl-Gly-N-[5-(1,2-dithiolane-3-yl)pentyl]-NH2
  • Boc-L-Ala-2-Methyl-L-Ala-L-Ala-2-methyl-L-Ala-L-Ala-2-methyl-L-Ala-L-Ala-2-methyl-L-Ala-L-Ala-2-methyl-L-Ala-L-Ala-2-methyl-L-Ala-L-Ala-2-methyl-L-Ala-L-Ala-2-methyl-L-Ala-[5-(1,2-dithiolane-3-yl)pentyl]NH2
  • BA16Lipoa
  • Boc-(Ala-Aib)8-Lipoa
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