[(4R)-4-[(1R,3aS,3bR,4S,5aR,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-dodecahydro(6,6,8,8-2H4)-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]acetic acid, Glycoursodeoxycholic Acid-d4
HIT218701042
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HIT ID: HIT218701042
Cas No:
分子式: C26H43NO5
分子量: 453.656
常用名: [(4R)-4-[(1R,3aS,3bR,4S,5aR,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-dodecahydro(6,6,8,8-2H4)-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]acetic acid, Glycoursodeoxycholic Acid-d4
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-[(4R)-4-[(1R,3aS,3bR,4S,5aR,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro(6,6,8,8-2H4)-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]acetic acid
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C([2H])([2H])[C@H](O)C([2H])([2H])C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCC(O)=O
InChI key: GHCZAUBVMUEKKP-ODDJOPSVSA-N
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