Tubulysin D
HIT212671583
sdf文件结构编辑类似物检索
HIT ID: HIT212671583
Cas No: 309935-57-7
分子式: C43H65N5O9S
分子量: 828.08
常用名: Tubulysin D
氢键受体数 (HBA): 9
氢键供体数 (HBD): 3
LogP: 3.6930556
IUPAC: (2S,4R)-4-({2-[(1R,3R)-1-(acetyloxy)-4-methyl-3-[(2R,3S)-3-methyl-N-{[(3-methylbutanoyl)oxy]methyl}-2-{[(2R)-1-methylpiperidin-2-yl]formamido}pentanamido]pentyl]-1,3-thiazol-4-yl}formamido)-2-methyl-5-phenylpentanoic acid
IUPAC: (2S,4R)-4-({2-[(1R,3R)-1-(acetyloxy)-4-methyl-3-[(2R,3S)-3-methyl-N-{[(3-methylbutanoyl)oxy]methyl}-2-{[(2R)-1-methylpiperidin-2-yl]formamido}pentanamido]pentyl]-1,3-thiazol-4-yl}formamido)-2-methyl-5-phenylpentanoic acid
SMILES: [H][C@](NC(=O)[C@H]1CCCCN1C)([C@@H](C)CC)C(=O)N(COC(=O)CC(C)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: [H][C@](NC(=O)[C@H]1CCCCN1C)([C@@H](C)CC)C(=O)N(COC(=O)CC(C)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: SAJNCFZAPSBQTQ-HZZFHOQESA-N
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