Name: FAPI-FUSCC-07
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219250683
Cas No:
常用名:FAPI-FUSCC-07
IUPAC:2-[4-(carboxymethyl)-7-({[({[({[4-({2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl}carbamoyl)quinolin-8-yl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)methyl]carbamoyl}methyl)-1,4,7-triazonan-1-yl]acetic acid
IUPAC:2-[4-(carboxymethyl)-7-({[({[({[4-({2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl}carbamoyl)quinolin-8-yl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)methyl]carbamoyl}methyl)-1,4,7-triazonan-1-yl]acetic acid
InChI key:IXKDGFHECBPJJU-QFIPXVFZSA-N

分子式:C35H43F2N11O10
分子量:815.793
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc2cccc3c(ccnc23)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)CC1
SMILES:OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc2cccc3c(ccnc23)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)CC1

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