Chem
J-GLOBAL ID:200907029211491297   Nikkaji number:J376.717E

L-pGlu-L-His-L-Trp-D-Ser-L-Tyr-D-Leu-L-Leu-L-Arg-L-Pro-NHEt

L-pGlu-L-His-L-Trp-D-Ser-L-Tyr-D-Leu-L-Leu-L-Arg-L-Pro-NHEt
Substance type:
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
Molecular formula: C59H84N16O12
Molecular formula furigana: C59-H84-N16-O12
Molecular weight: 1209.421
InChI: InChI=1S/C59H84N16O12/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40/h7-8,11-12,15-18,28-29,31-33,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64)/t40-,41-,42-,43+,44-,45-,46-,47+,48-/m0/s1
InChI key: GFIJNRVAKGFPGQ-WQVASJQXSA-N
SMILES: CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1
Systematic name  (3):
  • L-pGlu-L-His-L-Trp-D-Ser-L-Tyr-D-Leu-L-Leu-L-Arg-L-Pro-NHEt
  • (2S)-1-[(2S)-5-カルバムイミドアミド-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2R)-3-ヒドロキシ-2-[(2S)-2-[(2S)-3-(1H-イミダゾール-4-イル)-2-{[(2S)-5-オキソピロリジン-2-イル]ホルムアミド}プロパンアミド]-3-(1H-インドール-3-イル)プロパンアミド]プロパンアミド]-3-(4-ヒドロキシフェニル)プロパンアミド]-4-メチルペンタンアミド]-4-メチルペンタンアミド]ペンタノイル]-N-エチルピロリジン-2-カルボキサミド
  • (2S)-1-[(2S)-5-carbamimidamido-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2R)-3-hydroxy-2-[(2S)-2-[(2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-4-methylpentanamido]pentanoyl]-N-ethylpyrrolidine-2-carboxamide
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