Y4R agonist-1
HIT217584555
sdf文件结构编辑类似物检索
HIT ID: HIT217584555
Cas No: T80758
分子式: C51H80N18O11
分子量: 1121.316
常用名: Y4R agonist-1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-{[(9S,12S,15S)-4-amino-15-(3-carbamimidamidopropyl)-12-[(4-hydroxyphenyl)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-[(4-hydroxyphenyl)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
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](Cc2ccc(O)cc2)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](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
InChI key: HRFROEUEVCIDOO-BGBFCPIGSA-N
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