Chemical Compound

(2S)-2beta,26beta-(2-Butene-1,4-diyl)-5beta-[(R)-1-hydroxyethyl]-8beta-(4-aminobutyl)-11beta-(hydroxymethyl)-14beta,23beta-diisobutyl-16,17beta:19,20beta:31,32beta-tripropano-29beta-benzyl-35beta-(2-oxo-2-hydroxyethyl)-41beta-(3-guanidinopropyl)-1,4,7,10,13,16,19,22,25,28,31,34,37,40-tetradecaazacyclodotetracontane-3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaone

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(2S)-2beta,26beta-(2-Butene-1,4-diyl)-5beta-[(R)-1-hydroxyethyl]-8beta-(4-aminobutyl)-11beta-(hydroxymethyl)-14beta,23beta-diisobutyl-16,17beta:19,20beta:31,32beta-tripropano-29beta-benzyl-35beta-(2-oxo-2-hydroxyethyl)-41beta-(3-guanidinopropyl)-1,4,7,10,13,16,19,22,25,28,31,34,37,40-tetradecaazacyclodotetracontane-3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaone 结构式
Primary record

(2S)-2beta,26beta-(2-Butene-1,4-diyl)-5beta-[(R)-1-hydroxyethyl]-8beta-(4-aminobutyl)-11beta-(hydroxymethyl)-14beta,23beta-diisobutyl-16,17beta:19,20beta:31,32beta-tripropano-29beta-benzyl-35beta-(2-oxo-2-hydroxyethyl)-41beta-(3-guanidinopropyl)-1,4,7,10,13,16,19,22,25,28,31,34,37,40-tetradecaazacyclodotetracontane-3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaone

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177533299
SMILES
C[C@H]([C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H]4C/C=C\C[C@@H](C(=O)N1)NC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC4=O)CC6=CC=CC=C6)CC(=O)O)CCCN=C(N)N)CC(C)C)CC(C)C)CO)CCCCN)O
Canonical SMILES
CC(C)CC1NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2C/C=C\C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)N2

名称与同义词

  • SFTI-2
  • J2.417.137J
  • (2S)-2beta,26beta-(2-Butene-1,4-diyl)-5beta-[(R)-1-hydroxyethyl]-8beta-(4-aminobutyl)-11beta-(hydroxymethyl)-14beta,23beta-diisobutyl-16,17beta:19,20beta:31,32beta-tripropano-29beta-benzyl-35beta-(2-oxo-2-hydroxyethyl)-41beta-(3-guanidinopropyl)-1,4,7,10,13,16,19,22,25,28,31,34,37,40-tetradecaazacyclodotetracontane-3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaone
  • 2-[(1S,4S,7S,13S,19S,22S,25S,28S,31S,34S,40S,43S,49S)-25-(4-aminobutyl)-49-benzyl-34-(3-carbamimidamidopropyl)-28-[(1R)-1-hydroxyethyl]-22-(hydroxymethyl)-4,19-bis(2-methylpropyl)-3,6,12,18,21,24,27,30,33,36,39,42,48,51-tetradecaoxo-2,5,11,17,20,23,26,29,32,35,38,41,47,50-tetradecaazapentacyclo[29.20.4.07,11.013,17.043,47]pentapentacont-53-en-40-yl]acetic acid