Chem
J-GLOBAL ID:200907011299064567   Nikkaji number:J2.408.250D

3-(Fmoc-L-Ala-L-Phe-L-Ile-L-Lys-Thio)propanoic acid methyl ester

3-(Fmoc-L-Ala-L-Phe-L-Ile-L-Lys-チオ)プロパン酸メチル
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: C43H55N5O8S
Molecular formula furigana: C43-H55-N5-O8-S
Molecular weight: 802.000
InChI: InChI=1S/C43H55N5O8S/c1-5-27(2)38(41(52)46-35(21-13-14-23-44)42(53)57-24-22-37(49)55-4)48-40(51)36(25-29-15-7-6-8-16-29)47-39(50)28(3)45-43(54)56-26-34-32-19-11-9-17-30(32)31-18-10-12-20-33(31)34/h6-12,15-20,27-28,34-36,38H,5,13-14,21-26,44H2,1-4H3,(H,45,54)(H,46,52)(H,47,50)(H,48,51)/t27-,28-,35-,36-,38-/m0/s1
InChI key: DYRRSIIOWINXFL-ISSQFKQGSA-N
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)SCCC(=O)OC
Systematic name  (3):
  • 3-(Fmoc-L-Ala-L-Phe-L-Ile-L-Lys-チオ)プロパン酸メチル
  • メチル 3-{[(2S)-6-アミノ-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-({[(9H-フルオレン-9-イル)メトキシ]カルボニル}アミノ)プロパンアミド]-3-フェニルプロパンアミド]-3-メチルペンタンアミド]ヘキサノイル]スルファニル}プロパノアート
  • methyl 3-{[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]-3-phenylpropanamido]-3-methylpentanamido]hexanoyl]sulfanyl}propanoate
Other name (1):
  • 3-(Fmoc-L-Ala-L-Phe-L-Ile-L-Lys-Thio)propanoic acid methyl ester
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