Chem
J-GLOBAL ID：201707007945241524
Nikkaji number：J3.658.165D
pGlu-Leu-Phe-Gly-Asn-Val-Asn-Phe-Trp-OEt
pGlu-Leu-Phe-Gly-Asn-Val-Asn-Phe-Trp-OEt
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： C57H74N12O13
Molecular formula furigana： C57-H74-N12-O13
Molecular weight： 1135.290
InChI：
InChI=1S/C57H74N12O13/c1-6-82-57(81)44(26-35-29-60-37-20-14-13-19-36(35)37)68-53(77)41(25-34-17-11-8-12-18-34)66-54(78)43(28-46(59)71)67-56(80)49(32(4)5)69-55(79)42(27-45(58)70)63-48(73)30-61-50(74)40(24-33-15-9-7-10-16-33)65-52(76)39(23-31(2)3)64-51(75)38-21-22-47(72)62-38/h7-20,29,31-32,38-44,49,60H,6,21-28,30H2,1-5H3,(H2,58,70)(H2,59,71)(H,61,74)(H,62,72)(H,63,73)(H,64,75)(H,65,76)(H,66,78)(H,67,80)(H,68,77)(H,69,79)/t38-,39-,40-,41-,42-,43-,44-,49-/m0/s1
InChI key：
KPSZLEJPHOUSIQ-HVPVLODYSA-N
SMILES：
CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(C)C
Systematic name (3)：
- pGlu-Leu-Phe-Gly-Asn-Val-Asn-Phe-Trp-OEt
- エチル (2S)-2-[(2S)-2-[(2S)-3-カルバモイル-2-[(2S)-2-[(2S)-3-カルバモイル-2-{2-[(2S)-2-[(2S)-4-メチル-2-{[(2S)-5-オキソピロリジン-2-イル]ホルムアミド}ペンタンアミド]-3-フェニルプロパンアミド]アセトアミド}プロパンアミド]-3-メチルブタンアミド]プロパンアミド]-3-フェニルプロパンアミド]-3-(1H-インドール-3-イル)プロパノアート
- ethyl (2S)-2-[(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-2-[(2S)-3-carbamoyl-2-{2-[(2S)-2-[(2S)-4-methyl-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}pentanamido]-3-phenylpropanamido]acetamido}propanamido]-3-methylbutanamido]propanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanoate
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