Chemical Compound

(3S)-4-[[(1S)-2-[[(1S)-2-[[(1S)-1-acetyl-3-methyl-butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxo-butanoyl]amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-4-oxo-butanoic acid

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(3S)-4-[[(1S)-2-[[(1S)-2-[[(1S)-1-acetyl-3-methyl-butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxo-butanoyl]amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-4-oxo-butanoic acid 结构式
Primary record

(3S)-4-[[(1S)-2-[[(1S)-2-[[(1S)-1-acetyl-3-methyl-butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxo-butanoyl]amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-4-oxo-butanoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
16131776
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(C)C)C(=O)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)CN)O
Canonical SMILES
CC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(C)C)[C@@H](C)O)C(C)C)C(C)C

名称与同义词

  • NRC-12
  • SCHEMBL29736864
  • BAT-011770
  • (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]acetyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
  • (3S)-4-[[(1S)-2-[[(1S)-2-[[(1S)-1-acetyl-3-methyl-butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxo-butanoyl]amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-4-oxo-butanoic acid
  • Gly-Trp-Lys-Lys-Trp-Phe-Asn-Arg-Ala-Lys-Lys-Val-Gly-Lys-Thr-Val-Gly-Gly-Leu-Ala-Val-Asp-His-Tyr-Leu-NH2
  • H-Gly-Trp-Lys-Lys-Trp-Phe-Asn-Arg-Ala-Lys-Lys-Val-Gly-Lys-Thr-Val-Gly-Gly-Leu-Ala-Val-Asp-His-Tyr-Leu-Me