ethyl 2-[(2S)-2-[(2S)-2-({2-[(2S)-2-{[(2S)-1-acetylpyrrolidin-2-yl]formamido}-4-methylpentanamido]acetyl}sulfanyl)-4-methylpentanamido]-4-methylpentanamido]acetate, MMP-2/MMP-9 Substrate
HIT218662148
sdf文件结构编辑类似物检索
HIT ID: HIT218662148
Cas No: 99828-55-4
分子式: C31H53N5O8S
分子量: 655.85
常用名: ethyl 2-[(2S)-2-[(2S)-2-({2-[(2S)-2-{[(2S)-1-acetylpyrrolidin-2-yl]formamido}-4-methylpentanamido]acetyl}sulfanyl)-4-methylpentanamido]-4-methylpentanamido]acetate, MMP-2/MMP-9 Substrate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: ethyl 2-[(2S)-2-[(2S)-2-({2-[(2S)-2-{[(2S)-1-acetylpyrrolidin-2-yl]formamido}-4-methylpentanamido]acetyl}sulfanyl)-4-methylpentanamido]-4-methylpentanamido]acetate
SMILES: CCOC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)SC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(C)=O
InChI key: OJIFMDRLHMGYGK-QORCZRPOSA-N
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SC
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Mcule
SC
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