Name: Barucainide
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219159158
Cas No:
常用名:Barucainide
别名:Barucainidum
IUPAC:N-[(1S)-3-[(1R,3R,5S)-3-[3-(2-{2-[({7-[2-({[(1S,5R,14R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-yl]carbamoyl}methoxy)acetamido]heptyl}carbamoyl)methoxy]acetamido}ethyl)-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide
IUPAC:N-[(1S)-3-[(1R,3R,5S)-3-[3-(2-{2-[({7-[2-({[(1S,5R,14R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-yl]carbamoyl}methoxy)acetamido]heptyl}carbamoyl)methoxy]acetamido}ethyl)-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide
InChI key:RJZAGAMHLSCKAW-BNATVPKUSA-N

分子式:C65H92F2N10O10
分子量:1211.508
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)c1nnc(CCNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6OC2[C@]3(CCN4CC2CC2)c56)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1
SMILES:CC(C)c1nnc(CCNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6OC2[C@]3(CCN4CC2CC2)c56)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1

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