Chem
J-GLOBAL ID：200907070866592363
Nikkaji number：J1.166.168H
Ac-Gly-Gly-Gly-L-Lys-L-Leu-L-Ala-L-Ala-L-Leu-L-Lys-L-Ala-L-Lys-L-Leu-L-Ala-L-Ala-L-Leu-L-Lys-L-Ala-Gly-NH2
Ac-Gly-Gly-Gly-L-Lys-L-Leu-L-Ala-L-Ala-L-Leu-L-Lys-L-Ala-L-Lys-L-Leu-L-Ala-L-Ala-L-Leu-L-Lys-L-Ala-Gly-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： C76H139N23O19
Molecular formula furigana： C76-H139-N23-O19
Molecular weight： 1679.090
InChI：
InChI=1S/C76H139N23O19/c1-40(2)32-55(98-71(113)51(24-16-20-28-77)92-62(104)39-84-61(103)38-83-60(102)37-82-50(15)100)73(115)90-45(10)64(106)86-48(13)68(110)97-58(35-43(7)8)76(118)95-53(26-18-22-30-79)70(112)89-49(14)66(108)93-54(27-19-23-31-80)72(114)99-56(33-41(3)4)74(116)91-46(11)65(107)87-47(12)67(109)96-57(34-42(5)6)75(117)94-52(25-17-21-29-78)69(111)88-44(9)63(105)85-36-59(81)101/h40-49,51-58H,16-39,77-80H2,1-15H3,(H2,81,101)(H,82,100)(H,83,102)(H,84,103)(H,85,105)(H,86,106)(H,87,107)(H,88,111)(H,89,112)(H,90,115)(H,91,116)(H,92,104)(H,93,108)(H,94,117)(H,95,118)(H,96,109)(H,97,110)(H,98,113)(H,99,114)/t44-,45-,46-,47-,48-,49-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1
InChI key：
XHRCHZQYWTZPFD-ZRDNSPKQSA-N
SMILES：
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)CNC(=O)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N
Systematic name (3)：
- Ac-Gly-Gly-Gly-L-Lys-L-Leu-L-Ala-L-Ala-L-Leu-L-Lys-L-Ala-L-Lys-L-Leu-L-Ala-L-Ala-L-Leu-L-Lys-L-Ala-Gly-NH2
- (2S)-6-アミノ-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-アミノ-1-{[(1S)-1-{[(1S)-5-アミノ-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-アミノ-1-{[(1S)-1-[(カルバモイルメチル)カルバモイル]エチル]カルバモイル}ペンチル]カルバモイル}-3-メチルブチル]カルバモイル}エチル]カルバモイル}エチル]カルバモイル}-3-メチルブチル]カルバモイル}ペンチル]カルバモイル}エチル]カルバモイル}ペンチル]カルバモイル}-3-メチルブチル]カルバモイル}エチル]カルバモイル}エチル]カルバモイル}-3-メチルブチル]-2-{2-[2-(2-アセトアミドアセトアミド)アセトアミド]アセトアミド}ヘキサンアミド
- (2S)-6-amino-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-[(carbamoylmethyl)carbamoyl]ethyl]carbamoyl}pentyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}pentyl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]-2-{2-[2-(2-acetamidoacetamido)acetamido]acetamido}hexanamide
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