Chem
J-GLOBAL ID:200907048522148884   Nikkaji number:J697.196B

L-Ala-L-Ala-L-Phe-L-Trp-L-Ala-L-Leu-L-Ala-L-Phe-OMe

L-Ala-L-Ala-L-Phe-L-Trp-L-Ala-L-Leu-L-Ala-L-Phe-OMe
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: C48H63N9O9
Molecular formula furigana: C48-H63-N9-O9
Molecular weight: 910.086
InChI: InChI=1S/C48H63N9O9/c1-27(2)22-37(45(62)52-31(6)44(61)57-40(48(65)66-7)24-33-18-12-9-13-19-33)54-43(60)30(5)53-46(63)39(25-34-26-50-36-21-15-14-20-35(34)36)56-47(64)38(23-32-16-10-8-11-17-32)55-42(59)29(4)51-41(58)28(3)49/h8-21,26-31,37-40,50H,22-25,49H2,1-7H3,(H,51,58)(H,52,62)(H,53,63)(H,54,60)(H,55,59)(H,56,64)(H,57,61)/t28-,29-,30-,31-,37-,38-,39-,40-/m0/s1
InChI key: TUQBZYVMOSVDNE-AWBKFREVSA-N
SMILES: COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N
Systematic name  (3):
  • L-Ala-L-Ala-L-Phe-L-Trp-L-Ala-L-Leu-L-Ala-L-Phe-OMe
  • メチル (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-アミノプロパンアミド]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)プロパンアミド]プロパンアミド]-4-メチルペンタンアミド]プロパンアミド]-3-フェニルプロパノアート
  • methyl (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-4-methylpentanamido]propanamido]-3-phenylpropanoate
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