Tubulysin M
HIT212671589
sdf文件结构编辑类似物检索
HIT ID: HIT212671589
Cas No: 936691-46-2
分子式: C38H57N5O7S
分子量: 727.96
常用名: Tubulysin M
氢键受体数 (HBA): 8
氢键供体数 (HBD): 3
LogP: 2.3998077
IUPAC: (2S,4R)-4-({2-[(1R,3R)-1-(acetyloxy)-3-[(2S,3S)-N,3-dimethyl-2-{[(2R)-1-methylpiperidin-2-yl]formamido}pentanamido]-4-methylpentyl]-1,3-thiazol-4-yl}formamido)-2-methyl-5-phenylpentanoic acid
IUPAC: (2S,4R)-4-({2-[(1R,3R)-1-(acetyloxy)-3-[(2S,3S)-N,3-dimethyl-2-{[(2R)-1-methylpiperidin-2-yl]formamido}pentanamido]-4-methylpentyl]-1,3-thiazol-4-yl}formamido)-2-methyl-5-phenylpentanoic acid
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccccc1)C(C)C
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccccc1)C(C)C
InChI key: POBZYODNVHQLFG-ZRBKHQLFSA-N
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TargetMol
SC
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Mcule
SC
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