Chemical Compound

(4S)-4-[({[(1S,2R)-1-{[(1S)-1-{[(2S)-6-amino-1-[(2S)-2-{[(1S)-3-carbamoyl-1-{[(1S)-2-carbamoyl-1-{[(1S)-3-carboxy-1-[(carboxymethyl)carbamoyl]propyl]carbamoyl}ethyl]carbamoyl}propyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-2-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl]carbamoyl}methyl)carbamoyl]-4-{2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-carboxybutanamido]acetamido}butanoic acid

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(4S)-4-[({[(1S,2R)-1-{[(1S)-1-{[(2S)-6-amino-1-[(2S)-2-{[(1S)-3-carbamoyl-1-{[(1S)-2-carbamoyl-1-{[(1S)-3-carboxy-1-[(carboxymethyl)carbamoyl]propyl]carbamoyl}ethyl]carbamoyl}propyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-2-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl]carbamoyl}methyl)carbamoyl]-4-{2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-carboxybutanamido]acetamido}butanoic acid 结构式
Primary record

(4S)-4-[({[(1S,2R)-1-{[(1S)-1-{[(2S)-6-amino-1-[(2S)-2-{[(1S)-3-carbamoyl-1-{[(1S)-2-carbamoyl-1-{[(1S)-3-carboxy-1-[(carboxymethyl)carbamoyl]propyl]carbamoyl}ethyl]carbamoyl}propyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-2-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl]carbamoyl}methyl)carbamoyl]-4-{2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-carboxybutanamido]acetamido}butanoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101040528
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)N)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)NC(=O)C
Canonical SMILES
CC(=O)N[C@H]1[C@@H](O[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O)O[C@H](CO)[C@H](O)[C@@H]1O

名称与同义词

  • [Thr(GalNAc)45]hirudin P6(40-52)
  • J1.176.015E
  • (4S)-4-[({[(1S,2R)-1-{[(1S)-1-{[(2S)-6-amino-1-[(2S)-2-{[(1S)-3-carbamoyl-1-{[(1S)-2-carbamoyl-1-{[(1S)-3-carboxy-1-[(carboxymethyl)carbamoyl]propyl]carbamoyl}ethyl]carbamoyl}propyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-2-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl]carbamoyl}methyl)carbamoyl]-4-{2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-carboxybutanamido]acetamido}butanoic acid
  • L-Val-L-Glu-Gly-L-Glu-Gly-O-[2-(Acetylamino)-2-deoxy-alpha-D-galactopyranosyl]-L-Thr-L-Arg-L-Lys-L-Pro-L-Gln-L-Asn-L-Glu-Gly-OH