Chemical Compound

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-({[3,5-bis(trifluoromethyl)phenyl]methyl}carbamoyl)-2-(1H-indol-3-yl)ethyl]-4-methylpentanamide

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(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-({[3,5-bis(trifluoromethyl)phenyl]methyl}carbamoyl)-2-(1H-indol-3-yl)ethyl]-4-methylpentanamide 结构式
Primary record

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-({[3,5-bis(trifluoromethyl)phenyl]methyl}carbamoyl)-2-(1H-indol-3-yl)ethyl]-4-methylpentanamide

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
25129133
SMILES
C[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)NCC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)NC(=O)[C@H](CC6=CC=C(C=C6)O)N
Canonical SMILES
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

名称与同义词

  • CHEMBL507340
  • SCHEMBL29374662
  • UTXLSPLKQGPIPL-WXYSSXJFSA-N
  • BDBM50264406
  • TY-027
  • J2.735.301K
  • Tyr-D-Ala-Gly-Phe-Met-Pro-Leu-Trp-NH-3,5-Bzl(CF 3) 2
  • H-Tyr-D-Ala-Gly-Phe-Met-Pro-Leu-Trp-NH-[3'',5''-(CF3)2Bzl]
  • L-Tyr-D-Ala-Gly-L-Phe-L-Met-L-Pro-L-Leu-L-Trp-[3,5-Bis(trifluoromethyl)benzyl]NH2
  • (2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-({[3,5-bis(trifluoromethyl)phenyl]methyl}carbamoyl)-2-(1H-indol-3-yl)ethyl]-4-methylpentanamide
  • (S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-15-(4-hydroxyphenyl)-11-methyl-2-(2-(methylthio)ethyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecane)-N-((S)-1-((S)-1-(3,5-bis(trifluoromethyl)benzylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-ylamino)-4-methyl-1-oxopentan-2-yl)pyrrolidine-2-carboxamide