Name: PRDX1-IN-1
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218849324
Cas No:2996096-63-8
常用名:PRDX1-IN-1
IUPAC:(6bS,8aS,11R,12aR,12bS,14aR)-4,6b,8a,11,12b,14a-hexamethyl-2-oxo-11-{[(3,5,6-trimethylpyrazin-2-yl)methyl]carbamoyl}-2,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-tetradecahydropicen-3-yl (2E)-3-phenylprop-2-enoate
IUPAC:(6bS,8aS,11R,12aR,12bS,14aR)-4,6b,8a,11,12b,14a-hexamethyl-2-oxo-11-{[(3,5,6-trimethylpyrazin-2-yl)methyl]carbamoyl}-2,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-tetradecahydropicen-3-yl (2E)-3-phenylprop-2-enoate
InChI key:FRYSNRRDKCJCDD-MAYJLFPOSA-N

分子式:C46H55N3O4
分子量:713.963
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)\C=C\c5ccccc5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)NCc1nc(C)c(C)nc1C
SMILES:[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)\C=C\c5ccccc5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)NCc1nc(C)c(C)nc1C

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