Chemical Compound

3-[(3S,6S,9R,12R,15S,18R,21S,24R,30S,33R,36S,37R)-24-benzyl-6-[(2S)-butan-2-yl]-18,33-bis(3-carbamimidamidopropyl)-12-(2-carbamoylethyl)-36-[(3R)-3-hydroxy-5-methylhexanamido]-3-[(1R)-1-hydroxyethyl]-30-(hydroxymethyl)-9-[(1H-indol-3-yl)methyl]-25,37-dimethyl-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34-undecaazacycloheptatriacontan-15-yl]propanoic acid

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3-[(3S,6S,9R,12R,15S,18R,21S,24R,30S,33R,36S,37R)-24-benzyl-6-[(2S)-butan-2-yl]-18,33-bis(3-carbamimidamidopropyl)-12-(2-carbamoylethyl)-36-[(3R)-3-hydroxy-5-methylhexanamido]-3-[(1R)-1-hydroxyethyl]-30-(hydroxymethyl)-9-[(1H-indol-3-yl)methyl]-25,37-dimethyl-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34-undecaazacycloheptatriacontan-15-yl]propanoic acid 结构式
Primary record

3-[(3S,6S,9R,12R,15S,18R,21S,24R,30S,33R,36S,37R)-24-benzyl-6-[(2S)-butan-2-yl]-18,33-bis(3-carbamimidamidopropyl)-12-(2-carbamoylethyl)-36-[(3R)-3-hydroxy-5-methylhexanamido]-3-[(1R)-1-hydroxyethyl]-30-(hydroxymethyl)-9-[(1H-indol-3-yl)methyl]-25,37-dimethyl-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34-undecaazacycloheptatriacontan-15-yl]propanoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177520364
SMILES
CC[C@H](C)[C@H]1C(=O)NC(C(=O)O[C@@H](C(C(=O)N[C@@H](C(=O)NC(C(=O)NCC(=O)N(C(C(=O)NC(C(=O)N[C@@H](C(=O)NC(C(=O)N[C@@H](C(=O)NC(C(=O)N1)CC2=CNC3=CC=CC=C32)CCC(=O)N)CCC(=O)O)CCCN=C(N)N)CC(C)C)CC4=CC=CC=C4)C)CO)CCCN=C(N)N)NC(=O)C[C@@H](CC(C)C)O)C)[C@@H](C)O
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(N)=O)NC(=O)C(CCC(=O)O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)N(C)C(=O)CNC(=O)C(CO)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)C(NC(=O)C[C@H](O)CC(C)C)[C@@H](C)OC(=O)C([C@@H](C)O)NC1=O

名称与同义词

  • Kaikosin E
  • J3.276.640D
  • 3-[(3S,6S,9R,12R,15S,18R,21S,24R,30S,33R,36S,37R)-24-benzyl-6-[(2S)-butan-2-yl]-18,33-bis(3-carbamimidamidopropyl)-12-(2-carbamoylethyl)-36-[(3R)-3-hydroxy-5-methylhexanamido]-3-[(1R)-1-hydroxyethyl]-30-(hydroxymethyl)-9-[(1H-indol-3-yl)methyl]-25,37-dimethyl-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34-undecaazacycloheptatriacontan-15-yl]propanoic acid
  • Cyclo[L-Ser-Gly-N-methyl-D-Phe-L-Leu-D-Arg-L-Glu-D-Gln-D-Trp-L-Ile-L-Thr-N-[(3R)-3-hydroxy-5-methylhexanoyl]-L-Thr*-D-Arg-]
  • Cyclo[Leu-D-Arg-Glu-D-Gln-D-Trp-Ile-Thr-[N-[(R)-3-hydroxy-5-methylhexanoyl]-Thr*-]-D-Arg-Ser-Gly-N-methyl-D-Phe-]