Chem
J-GLOBAL ID：200907095571631750
Nikkaji number：J1.010.883G
Boc-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-(2-Mercaptoethyl)NH2
Boc-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-(2-メルカプトエチル)NH2
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
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
Molecular formula： C63H111N17O18S
Molecular formula furigana： C63-H111-N17-O18-S
Molecular weight： 1426.740
InChI：
InChI=1S/C63H111N17O18S/c1-30(38(81)73-56(12,13)46(89)64-28-29-99)65-47(90)57(14,15)74-39(82)31(2)66-48(91)58(16,17)75-40(83)32(3)67-49(92)59(18,19)76-41(84)33(4)68-50(93)60(20,21)77-42(85)34(5)69-51(94)61(22,23)78-43(86)35(6)70-52(95)62(24,25)79-44(87)36(7)71-53(96)63(26,27)80-45(88)37(8)72-54(97)98-55(9,10)11/h30-37,99H,28-29H2,1-27H3,(H,64,89)(H,65,90)(H,66,91)(H,67,92)(H,68,93)(H,69,94)(H,70,95)(H,71,96)(H,72,97)(H,73,81)(H,74,82)(H,75,83)(H,76,84)(H,77,85)(H,78,86)(H,79,87)(H,80,88)/t30-,31-,32-,33-,34-,35-,36-,37-/m0/s1
InChI key：
WRUOHECIVYCLBA-MDKUUQCZSA-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)NCCS
Systematic name (3)：
- Boc-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-(2-メルカプトエチル)NH2
- tert-ブチル N-[(1S)-1-[(1-メチル-1-{[(1S)-1-[(1-メチル-1-{[(1S)-1-[(1-メチル-1-{[(1S)-1-[(1-メチル-1-{[(1S)-1-[(1-メチル-1-{[(1S)-1-[(1-メチル-1-{[(1S)-1-[(1-メチル-1-{[(1S)-1-({1-メチル-1-[(2-スルファニルエチル)カルバモイル]エチル}カルバモイル)エチル]カルバモイル}エチル)カルバモイル]エチル]カルバモイル}エチル)カルバモイル]エチル]カルバモイル}エチル)カルバモイル]エチル]カルバモイル}エチル)カルバモイル]エチル]カルバモイル}エチル)カルバモイル]エチル]カルバモイル}エチル)カルバモイル]エチル]カルバモイル}エチル)カルバモイル]エチル]カルバマート
- tert-butyl N-[(1S)-1-[(1-methyl-1-{[(1S)-1-[(1-methyl-1-{[(1S)-1-[(1-methyl-1-{[(1S)-1-[(1-methyl-1-{[(1S)-1-[(1-methyl-1-{[(1S)-1-[(1-methyl-1-{[(1S)-1-[(1-methyl-1-{[(1S)-1-({1-methyl-1-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)ethyl]carbamoyl}ethyl)carbamoyl]ethyl]carbamoyl}ethyl)carbamoyl]ethyl]carbamoyl}ethyl)carbamoyl]ethyl]carbamoyl}ethyl)carbamoyl]ethyl]carbamoyl}ethyl)carbamoyl]ethyl]carbamoyl}ethyl)carbamoyl]ethyl]carbamoyl}ethyl)carbamoyl]ethyl]carbamate
- Boc-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-Ala-Aib-(2-Mercaptoethyl)NH2
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