Chem
J-GLOBAL ID：201707016018660560
Nikkaji number：J3.658.166B
pGlu-Leu-Phe-Asn-Pro-Ser-Thr-Asn-Phe-Trp-OEt
pGlu-Leu-Phe-Asn-Pro-Ser-Thr-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： C62H81N13O16
Molecular formula furigana： C62-H81-N13-O16
Molecular weight： 1264.405
InChI：
InChI=1S/C62H81N13O16/c1-5-91-62(90)46(28-37-31-65-39-20-13-12-19-38(37)39)72-56(84)43(27-36-17-10-7-11-18-36)69-57(85)44(29-49(63)78)70-60(88)52(34(4)77)74-58(86)47(32-76)73-59(87)48-21-14-24-75(48)61(89)45(30-50(64)79)71-55(83)42(26-35-15-8-6-9-16-35)68-54(82)41(25-33(2)3)67-53(81)40-22-23-51(80)66-40/h6-13,15-20,31,33-34,40-48,52,65,76-77H,5,14,21-30,32H2,1-4H3,(H2,63,78)(H2,64,79)(H,66,80)(H,67,81)(H,68,82)(H,69,85)(H,70,88)(H,71,83)(H,72,84)(H,73,87)(H,74,86)/t34-,40+,41+,42+,43+,44+,45+,46+,47+,48+,52+/m1/s1
InChI key：
WJDDAYIFKTXFPO-KMHLCFBTSA-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](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O
Systematic name (3)：
- pGlu-Leu-Phe-Asn-Pro-Ser-Thr-Asn-Phe-Trp-OEt
- エチル (2S)-2-[(2S)-2-[(2S)-3-カルバモイル-2-[(2S,3R)-2-[(2S)-2-{[(2S)-1-[(2S)-3-カルバモイル-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]プロパノイル]ピロリジン-2-イル]ホルムアミド}-3-ヒドロキシプロパンアミド]-3-ヒドロキシブタンアミド]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,3R)-2-[(2S)-2-{[(2S)-1-[(2S)-3-carbamoyl-2-[(2S)-2-[(2S)-4-methyl-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}pentanamido]-3-phenylpropanamido]propanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]-3-hydroxybutanamido]propanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanoate
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