Chemical Compound

(4S)-4-[(2S)-6-AMINO-2-[(2S)-3-CARBOXY-2-[(2S)-2-[(2S)-2-ACETAMIDO-4-METHYLPENTANAMIDO]-4-(METHYLSULFANYL)BUTANAMIDO]PROPANAMIDO]HEXANAMIDO]-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-2-CARBOXY-1-{[(1S,2S)-1-{[(1S,2S)-1-{[(1S)-1-CARBOXY-2-(1H-INDOL-3-YL)ETHYL]CARBAMOYL}-2-METHYLBUTYL]CARBAMOYL}-2-METHYLBUTYL]CARBAMOYL}ETHYL]CARBAMOYL}-3-METHYLBUTYL]CARBAMOYL}-2-(1H-IMIDAZOL-4-YL)ETHYL]CARBAMOYL}ETHYL]CARBAMOYL}-2-PHENYLETHYL]CARBAMOYL}-2-(4-HYDROXYPHENYL)ETHYL]CARBAMOYL}-2-METHYLPROPYL]CARBAMOYL}ETHYL]CARBAMOYL}BUTANOIC ACID

CAS Registry Number 143113-45-5
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(4S)-4-[(2S)-6-AMINO-2-[(2S)-3-CARBOXY-2-[(2S)-2-[(2S)-2-ACETAMIDO-4-METHYLPENTANAMIDO]-4-(METHYLSULFANYL)BUTANAMIDO]PROPANAMIDO]HEXANAMIDO]-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-2-CARBOXY-1-{[(1S,2S)-1-{[(1S,2S)-1-{[(1S)-1-CARBOXY-2-(1H-INDOL-3-YL)ETHYL]CARBAMOYL}-2-METHYLBUTYL]CARBAMOYL}-2-METHYLBUTYL]CARBAMOYL}ETHYL]CARBAMOYL}-3-METHYLBUTYL]CARBAMOYL}-2-(1H-IMIDAZOL-4-YL)ETHYL]CARBAMOYL}ETHYL]CARBAMOYL}-2-PHENYLETHYL]CARBAMOYL}-2-(4-HYDROXYPHENYL)ETHYL]CARBAMOYL}-2-METHYLPROPYL]CARBAMOYL}ETHYL]CARBAMOYL}BUTANOIC ACID 结构式
Primary record

(4S)-4-[(2S)-6-AMINO-2-[(2S)-3-CARBOXY-2-[(2S)-2-[(2S)-2-ACETAMIDO-4-METHYLPENTANAMIDO]-4-(METHYLSULFANYL)BUTANAMIDO]PROPANAMIDO]HEXANAMIDO]-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-2-CARBOXY-1-{[(1S,2S)-1-{[(1S,2S)-1-{[(1S)-1-CARBOXY-2-(1H-INDOL-3-YL)ETHYL]CARBAMOYL}-2-METHYLBUTYL]CARBAMOYL}-2-METHYLBUTYL]CARBAMOYL}ETHYL]CARBAMOYL}-3-METHYLBUTYL]CARBAMOYL}-2-(1H-IMIDAZOL-4-YL)ETHYL]CARBAMOYL}ETHYL]CARBAMOYL}-2-PHENYLETHYL]CARBAMOYL}-2-(4-HYDROXYPHENYL)ETHYL]CARBAMOYL}-2-METHYLPROPYL]CARBAMOYL}ETHYL]CARBAMOYL}BUTANOIC ACID

库存
3,322 克
纯度
99.0 %
CAS
143113-45-5

化合物标识与属性

CAS
143113-45-5
PubChem CID
16178853
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CNC=N3)NC(=O)[C@H](C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)C
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC

名称与同义词

  • BQ-3020
  • Ac-LMDKEAVYFAHLDIIW-OH
  • SCHEMBL30524411
  • C96H140N20O25S
  • AYJUXFCWNAVJLN-FHOIYVHLSA-N
  • BQ-3020 (trifluoroacetate salt)
  • 143113-45-5
  • BQ3020
  • HB3570
  • AKOS024456452
  • BQ 3020
  • Acetyl-(Ala11.15)-Endothelin-1 (6-21)
  • FA110316
  • C96-H140-N20-O25-S
  • J490.558J
  • Acetyl-(Ala11,15)-Endothelin-1 (6-21)
  • N-Acetyl-[Ala11,15]-Endothelin 1 fragment 6-21
  • LMDKEAVYFAHLDIIW (modifications: Leu-1 = N-terminal Ac)
  • Ac-Leu-Met-Asp-Lys-Glu-Ala-Val-Tyr-Phe-Ala-His-Leu-Asp-Ile-Ile-Trp-OH
  • N-Acetyl-leu-met-asp-lys-glu-ala-val-tyr-phe-ala-his-leu-asp-ile-ile-trp
  • (4S)-4-[(2S)-6-AMINO-2-[(2S)-3-CARBOXY-2-[(2S)-2-[(2S)-2-ACETAMIDO-4-METHYLPENTANAMIDO]-4-(METHYLSULFANYL)BUTANAMIDO]PROPANAMIDO]HEXANAMIDO]-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-2-CARBOXY-1-{[(1S,2S)-1-{[(1S,2S)-1-{[(1S)-1-CARBOXY-2-(1H-INDOL-3-YL)ETHYL]CARBAMOYL}-2-METHYLBUTYL]CARBAMOYL}-2-METHYLBUTYL]CARBAMOYL}ETHYL]CARBAMOYL}-3-METHYLBUTYL]CARBAMOYL}-2-(1H-IMIDAZOL-4-YL)ETHYL]CARBAMOYL}ETHYL]CARBAMOYL}-2-PHENYLETHYL]CARBAMOYL}-2-(4-HYDROXYPHENYL)ETHYL]CARBAMOYL}-2-METHYLPROPYL]CARBAMOYL}ETHYL]CARBAMOYL}BUTANOIC ACID
  • N-Acetyl-L-Leu-L-Met-L-Asp-L-Lys-L-Glu-L-Ala-L-Val-L-Tyr-L-Phe-L-Ala-L-His-L-Leu-L-Asp-L-Ile-L-Ile-L-Trp-OH