Chem
J-GLOBAL ID：200907035195895617   Nikkaji number：J1.249.099B

LipoA16B

N-[5-(1,2-ジチオラン-3-イル)バレリル]-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-OBzl
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： C71H116N16O18S2
Molecular formula furigana： C71-H116-N16-O18-S2
Molecular weight： 1545.920
InChI： InChI=1S/C71H116N16O18S2/c1-37(72-47(88)33-29-28-32-46-34-35-106-107-46)48(89)80-64(9,10)56(97)73-38(2)49(90)81-65(11,12)57(98)74-39(3)50(91)82-66(13,14)58(99)75-40(4)51(92)83-67(15,16)59(100)76-41(5)52(93)84-68(17,18)60(101)77-42(6)53(94)85-69(19,20)61(102)78-43(7)54(95)86-70(21,22)62(103)79-44(8)55(96)87-71(23,24)63(104)105-36-45-30-26-25-27-31-45/h25-27,30-31,37-44,46H,28-29,32-36H2,1-24H3,(H,72,88)(H,73,97)(H,74,98)(H,75,99)(H,76,100)(H,77,101)(H,78,102)(H,79,103)(H,80,89)(H,81,90)(H,82,91)(H,83,92)(H,84,93)(H,85,94)(H,86,95)(H,87,96)/t37-,38-,39-,40-,41-,42-,43-,44-,46?/m0/s1
InChI key： OXWOLQOTKTUTBP-ZCVFYTEWSA-N
SMILES： C[C@H](NC(=O)CCCCC1CCSS1)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)OCc1ccccc1
Systematic name  (2)：
  • N-[5-(1,2-ジチオラン-3-イル)バレリル]-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-OBzl
  • 5-(1,2-ジチオラン-3-イル)ペンタノイル-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-OBzl
Other name (4)：
  • N-[5-(1,2-Dithiolane-3-yl)valeryl]-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-OBzl
  • 5-(1,2-Dithiolane-3-yl)pentanoyl-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-OBzl
  • LipoA16B
  • Lipo-(Ala-Aib)8-OBzl
Thsaurus map：
Thesaurus Map

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