Chem
J-GLOBAL ID：200907043092821723
Nikkaji number：J1.060.534B
Boc-1-Formyl-L-Trp-L-Leu-D-Ala-Gly-L-Phe-(2-hydroxyethyl)NH2
Boc-1-ホルミル-L-Trp-L-Leu-D-Ala-Gly-L-Phe-(2-ヒドロキシエチル)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： C39H53N7O9
Molecular formula furigana： C39-H53-N7-O9
Molecular weight： 763.893
InChI：
InChI=1S/C39H53N7O9/c1-24(2)18-29(44-37(53)31(45-38(54)55-39(4,5)6)20-27-22-46(23-48)32-15-11-10-14-28(27)32)36(52)42-25(3)34(50)41-21-33(49)43-30(35(51)40-16-17-47)19-26-12-8-7-9-13-26/h7-15,22-25,29-31,47H,16-21H2,1-6H3,(H,40,51)(H,41,50)(H,42,52)(H,43,49)(H,44,53)(H,45,54)/t25-,29+,30+,31+/m1/s1
InChI key：
XAZXIBNIZSYRKK-CNKGAEGWSA-N
SMILES：
CC(C)C[C@H](NC(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCO
Systematic name (3)：
- Boc-1-ホルミル-L-Trp-L-Leu-D-Ala-Gly-L-Phe-(2-ヒドロキシエチル)NH2
- tert-ブチル N-[(1S)-2-(1-ホルミル-1H-インドール-3-イル)-1-{[(1S)-1-{[(1R)-1-[({[(1S)-1-[(2-ヒドロキシエチル)カルバモイル]-2-フェニルエチル]カルバモイル}メチル)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}エチル]カルバマート
- tert-butyl N-[(1S)-2-(1-formyl-1H-indol-3-yl)-1-{[(1S)-1-{[(1R)-1-[({[(1S)-1-[(2-hydroxyethyl)carbamoyl]-2-phenylethyl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamate
- Boc-1-Formyl-L-Trp-L-Leu-D-Ala-Gly-L-Phe-(2-hydroxyethyl)NH2
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