Chemical Compound

(3S)-3-[[(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[[(1S,2R)-1-[[(1S,2S)-1-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-5-amino-1-[[(1S,2S)-1-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-3-amino-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-3-oxo-propyl]carbamoyl]-4-oxo-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]pentyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]pentyl]amino]-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]pentyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-hydroxy-propyl]amino]-4-oxo-butanoic acid

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(3S)-3-[[(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[[(1S,2R)-1-[[(1S,2S)-1-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-5-amino-1-[[(1S,2S)-1-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-3-amino-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-3-oxo-propyl]carbamoyl]-4-oxo-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]pentyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]pentyl]amino]-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]pentyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-hydroxy-propyl]amino]-4-oxo-butanoic acid 结构式
Primary record

(3S)-3-[[(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[[(1S,2R)-1-[[(1S,2S)-1-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-5-amino-1-[[(1S,2S)-1-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-3-amino-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-3-oxo-propyl]carbamoyl]-4-oxo-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]pentyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]pentyl]amino]-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]pentyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-hydroxy-propyl]amino]-4-oxo-butanoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
49777294
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)CN
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)O

名称与同义词

  • Brevinin-2
  • Brevinin-2 related
  • GIWDTIKSMGKVFAGKILQNL-NH2
  • CHEMBL1240727
  • SCHEMBL29387943
  • BAT-012934
  • (3S)-3-[[(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[[(1S,2R)-1-[[(1S,2S)-1-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-5-amino-1-[[(1S,2S)-1-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-3-amino-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-3-oxo-propyl]carbamoyl]-4-oxo-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]pentyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]pentyl]amino]-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]pentyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-hydroxy-propyl]amino]-4-oxo-butanoic acid
  • Gly-Leu-Leu-Asp-Ser-Leu-Lys-Gly-Phe-Ala-Ala-Thr-Ala-Gly-Lys-Gly-Val-Leu-Gln-Ser-Leu-Leu-Ser-Thr-Ala-Ser-Cys-Lys-Leu-Ala-Lys-Thr-Cys (Disulfide bridge: Cys27-Cys33)