Chemical Compound

(2S)-6-amino-N-[(1S)-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}-3-methylbutyl]-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-{[(5S,8S,15R)-15-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-5-benzyl-3,6,13,16-tetraoxo-1,4,7,12-tetraazacyclohexadecan-8-yl]formamido}-3-methylpentanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}hexanamide

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(2S)-6-amino-N-[(1S)-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}-3-methylbutyl]-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-{[(5S,8S,15R)-15-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-5-benzyl-3,6,13,16-tetraoxo-1,4,7,12-tetraazacyclohexadecan-8-yl]formamido}-3-methylpentanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}hexanamide 结构式
Primary record

(2S)-6-amino-N-[(1S)-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}-3-methylbutyl]-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-{[(5S,8S,15R)-15-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-5-benzyl-3,6,13,16-tetraoxo-1,4,7,12-tetraazacyclohexadecan-8-yl]formamido}-3-methylpentanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}hexanamide

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177462254
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)C2CCCNC(=O)C[C@H](C(=O)NCC(=O)NC(C(=O)N2)CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)N
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)C1CCCNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)NCC(=O)NC(Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O

名称与同义词

  • J689.917J
  • Cyclo[D-Asp2,Orn5]dynorphin A(1-13)amide
  • (2S)-6-amino-N-[(1S)-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}-3-methylbutyl]-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-{[(5S,8S,15R)-15-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-5-benzyl-3,6,13,16-tetraoxo-1,4,7,12-tetraazacyclohexadecan-8-yl]formamido}-3-methylpentanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}hexanamide
  • N-[[(5S,8S,15R)-3,6,13,16-Tetraoxo-5-benzyl-15-(L-tyrosylamino)-1,4,7,12-tetraazacyclohexadecan-8-yl]carbonyl]-L-Arg-L-Arg-L-Ile-L-Arg-L-Pro-L-Lys-L-Leu-L-Lys-NH2