Chemical Compound

(3S)-3-{[(1S)-5-amino-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}pentyl]carbamoyl}-3-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-3-cyclohexyl-2-[(2S)-3-cyclohexyl-2-[(2S)-3-phenyl-2-(3-sulfanylpropanamido)propanamido]propanamido]propanamido]pentanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanamido]propanoic acid

(3S)-3-{[(1S)-5-amino-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}pentyl]carbamoyl}-3-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-3-cyclohexyl-2-[(2S)-3-cyclohexyl-2-[(2S)-3-phenyl-2-(3-sulfanylpropanamido)propanamido]propanamido]propanamido]pentanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanamido]propanoic acid 结构式
Primary record

(3S)-3-{[(1S)-5-amino-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}pentyl]carbamoyl}-3-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-3-cyclohexyl-2-[(2S)-3-cyclohexyl-2-[(2S)-3-phenyl-2-(3-sulfanylpropanamido)propanamido]propanamido]propanamido]pentanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanamido]propanoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
9920235
SMILES
C1CCC(CC1)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H](CC4CCCCC4)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)CCS
Canonical SMILES
NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

名称与同义词

  • CID9920235
  • CID 9920235
  • J1.254.006J
  • C-186-65
  • (3S)-3-{[(1S)-5-amino-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}pentyl]carbamoyl}-3-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-3-cyclohexyl-2-[(2S)-3-cyclohexyl-2-[(2S)-3-phenyl-2-(3-sulfanylpropanamido)propanamido]propanamido]propanamido]pentanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanamido]propanoic acid
  • N-(3-Mercaptopropionyl)-L-Phe-3-cyclohexyl-L-Ala-3-cyclohexyl-L-Ala-L-Arg-L-Asn-L-Pro-L-Asn-L-Asp-L-Lys-L-Tyr-OH