Chemical Compound

(3S)-4-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3R)-3-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[(2S)-2-[(2S)-2-[[(2S)-1-[(2R)-2-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]oxycarbonyl-2-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-6-amino-1-oxohexan-2-yl]amino]-3-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-oxobutanoic acid

CAS Registry Number 156548-23-1
(3S)-4-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3R)-3-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[(2S)-2-[(2S)-2-[[(2S)-1-[(2R)-2-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]oxycarbonyl-2-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-6-amino-1-oxohexan-2-yl]amino]-3-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-oxobutanoic acid 结构式
Primary record

(3S)-4-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3R)-3-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[(2S)-2-[(2S)-2-[[(2S)-1-[(2R)-2-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]oxycarbonyl-2-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-6-amino-1-oxohexan-2-yl]amino]-3-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-oxobutanoic acid

库存
7,549 克
纯度
98.7 %
CAS
156548-23-1

化合物标识与属性

CAS
156548-23-1
PubChem CID
16131340
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)OC(=O)[C@@]2(CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@H]([C@@H](C)OC5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)NC(=O)C)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)N)C(=O)[C@@H]7CCCN7C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]8CCCN8C(=O)[C@H](CC(C)C)N)N
Canonical SMILES
CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)OC(=O)[C@]1(C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(C)C)CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)C(C)C)[C@@H](C)OC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O

名称与同义词

  • Pyrrhocoricin
  • RefChem:177887
  • Pyrrhocoricin, Pyrrhocoris apterus
  • CHEMBL405360
  • pyrrhocoricin protein, Pyrrhocoris apterus
  • BAT-016960
  • 156548-23-1
  • (3S)-4-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3R)-3-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[(2S)-2-[(2S)-2-[[(2S)-1-[(2R)-2-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]oxycarbonyl-2-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-6-amino-1-oxohexan-2-yl]amino]-3-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-oxobutanoic acid
  • 224569-84-0
  • Val-Asp-Lys-Gly-Ser-Tyr-Leu-Pro-Arg-Pro-{O-[2-(acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranosyl]-Thr}-Pro-Pro-Arg-Pro-Ile-Tyr-Asn-Arg-Asn-NH2