Name: Y4R agonist-2
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT217584554
Cas No:
常用名:Y4R agonist-2
IUPAC:(2S)-2-{[(9S,12S,15S)-4-amino-15-(3-carbamimidamidopropyl)-12-[(1H-indol-3-yl)methyl]-2,11,14,17,20-pentaoxo-1,3,5,10,13,16,21-heptaazacyclopentacos-4-en-9-yl]formamido}-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]-4-methylpentanamide
IUPAC:(2S)-2-{[(9S,12S,15S)-4-amino-15-(3-carbamimidamidopropyl)-12-[(1H-indol-3-yl)methyl]-2,11,14,17,20-pentaoxo-1,3,5,10,13,16,21-heptaazacyclopentacos-4-en-9-yl]formamido}-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]-4-methylpentanamide
InChI key:YXWAKKCWEACOQW-SKGSPYGFSA-N

分子式:C53H81N19O10
分子量:1144.354
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN=C(N)NC(=O)NCCCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN=C(N)NC(=O)NCCCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

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