TAM557 | CAS 1802499-20-2 | AnyMole

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HIT218849185

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HIT218849185

HIT ID:HIT218849185
Cas No:1802499-20-2
常用名:TAM557
IUPAC:N-[(2R,4S)-4-[N'-(13-amino-2,5,8,11-tetraoxatridecanoyl)hydrazinecarbonyl]-1-(4-hydroxyphenyl)-4-methylbutan-2-yl]-2-[(1R,3R)-4-methyl-3-[(2S,3S)-3-methyl-2-{[(2R)-1-methylpiperidin-2-yl]formamido}-N-propylpentanamido]-1-propoxypentyl]-1,3-thiazole-4-carboxamide
IUPAC:N-[(2R,4S)-4-[N'-(13-amino-2,5,8,11-tetraoxatridecanoyl)hydrazinecarbonyl]-1-(4-hydroxyphenyl)-4-methylbutan-2-yl]-2-[(1R,3R)-4-methyl-3-[(2S,3S)-3-methyl-2-{[(2R)-1-methylpiperidin-2-yl]formamido}-N-propylpentanamido]-1-propoxypentyl]-1,3-thiazole-4-carboxamide
InChI key:MJOBFSPFDXPIOA-ICPUFXKISA-N

分子式:C50H84N8O11S
分子量:1005.33
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(=O)NNC(=O)OCCOCCOCCOCCN)Cc1ccc(O)cc1
SMILES:CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(=O)NNC(=O)OCCOCCOCCOCCN)Cc1ccc(O)cc1

TAM557 is a cytotoxic tubulysin compound suitable for use in enzymatic conjugation reactions [1].

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