UniPR1447
HIT217583327
sdf文件结构编辑类似物检索
HIT ID: HIT217583327
Cas No: 1809170-68-0
分子式: C36H50N2O4
分子量: 574.806
常用名: UniPR1447
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3S)-3-[(4R)-4-[(1R,3aS,3bS,7S,9aR,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]pentanamido]-4-(1H-indol-3-yl)butanoic acid
IUPAC: (3S)-3-[(4R)-4-[(1R,3aS,3bS,7S,9aR,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]pentanamido]-4-(1H-indol-3-yl)butanoic acid
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12
InChI key: DYQSTAGJKVMDAE-LWIYDJPKSA-N
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