Elastatinal
HIT212689006
sdf文件结构编辑类似物检索
HIT ID: HIT212689006
Cas No: 51798-45-9
分子式: C21H36N8O7
分子量: 512.568
常用名: Elastatinal
氢键受体数 (HBA): 10
氢键供体数 (HBD): 8
LogP: -4.9214735
IUPAC: (2S)-2-({[(S)-[(4S)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]({[(1S)-3-carbamoyl-1-{[(2S)-1-oxopropan-2-yl]carbamoyl}propyl]carbamoyl})methyl]carbamoyl}amino)-4-methylpentanoic acid
IUPAC: (2S)-2-({[(S)-[(4S)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]({[(1S)-3-carbamoyl-1-{[(2S)-1-oxopropan-2-yl]carbamoyl}propyl]carbamoyl})methyl]carbamoyl}amino)-4-methylpentanoic acid
SMILES: CC(C)C[C@H](NC(=O)N[C@@H]([C@@H]1CCNC(N)=N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C=O)C(O)=O |c:15|
SMILES: CC(C)C[C@H](NC(=O)N[C@@H]([C@@H]1CCNC(N)=N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C=O)C(O)=O |c:15|
InChI key: IJWCGVPEDDQUDE-YGJAXBLXSA-N
共显示2个结果
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