Name: [4-(carboxymethyl)-7-{2-[4-(3-{[4-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}carbamoyl)quinolin-6-yl]oxy}propyl)piperazin-1-yl]-2-oxoethyl}-1,4,7-triazonan-1-yl]acetic acid
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HIT ID:HIT218833230
Cas No:2374782-76-8
常用名:[4-(carboxymethyl)-7-{2-[4-(3-{[4-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}carbamoyl)quinolin-6-yl]oxy}propyl)piperazin-1-yl]-2-oxoethyl}-1,4,7-triazonan-1-yl]acetic acid
常用名:[4-(carboxymethyl)-7-{2-[4-(3-{[4-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}carbamoyl)quinolin-6-yl]oxy}propyl)piperazin-1-yl]-2-oxoethyl}-1,4,7-triazonan-1-yl]acetic acid
IUPAC:2-[4-(carboxymethyl)-7-{2-[4-(3-{[4-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}carbamoyl)quinolin-6-yl]oxy}propyl)piperazin-1-yl]-2-oxoethyl}-1,4,7-triazonan-1-yl]acetic acid
IUPAC:2-[4-(carboxymethyl)-7-{2-[4-(3-{[4-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}carbamoyl)quinolin-6-yl]oxy}propyl)piperazin-1-yl]-2-oxoethyl}-1,4,7-triazonan-1-yl]acetic acid
InChI key:ZPDBPTLREULTFT-MHZLTWQESA-N

分子式:C36H49N9O8
分子量:735.843
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)N2CCN(CCCOc3ccc4nccc(C(=O)NCC(=O)N5CCC[C@H]5C#N)c4c3)CC2)CC1
SMILES:OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)N2CCN(CCCOc3ccc4nccc(C(=O)NCC(=O)N5CCC[C@H]5C#N)c4c3)CC2)CC1

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