Chemical Compound

BENZENEPENTANOIC ACID, .GAMMA.-(((2-((1R,3R)-1-(ACETYLOXY)-4-METHYL-3-(((2S,3S)-3-METHYL-2-((((2R)-1-METHYL-2-PIPERIDINYL)CARBONYL)AMINO)-1-OXOPENTYL)((1-OXOBUTOXY)METHYL)AMINO)PENTYL)-4-THIAZOLYL)CARBONYL)AMINO)-4-HYDROXY-.ALPHA.-METHYL-, (.ALPHA.S,.GAMMA.R)-

CAS Registry Number 205304-87-6
BENZENEPENTANOIC ACID, .GAMMA.-(((2-((1R,3R)-1-(ACETYLOXY)-4-METHYL-3-(((2S,3S)-3-METHYL-2-((((2R)-1-METHYL-2-PIPERIDINYL)CARBONYL)AMINO)-1-OXOPENTYL)((1-OXOBUTOXY)METHYL)AMINO)PENTYL)-4-THIAZOLYL)CARBONYL)AMINO)-4-HYDROXY-.ALPHA.-METHYL-, (.ALPHA.S,.GAMMA.R)- 结构式
Primary record

BENZENEPENTANOIC ACID, .GAMMA.-(((2-((1R,3R)-1-(ACETYLOXY)-4-METHYL-3-(((2S,3S)-3-METHYL-2-((((2R)-1-METHYL-2-PIPERIDINYL)CARBONYL)AMINO)-1-OXOPENTYL)((1-OXOBUTOXY)METHYL)AMINO)PENTYL)-4-THIAZOLYL)CARBONYL)AMINO)-4-HYDROXY-.ALPHA.-METHYL-, (.ALPHA.S,.GAMMA.R)-

库存
756 克
纯度
98.9 %
CAS
205304-87-6

化合物标识与属性

CAS
205304-87-6
PubChem CID
12134545
SMILES
CCCC(=O)OCN([C@H](C[C@H](C1=NC(=CS1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]3CCCCN3C
Canonical SMILES
CCCC(=O)OCN(C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)O)cs1)C(C)C

名称与同义词

  • Tubulysin B
  • RefChem:192464
  • 205304-87-6
  • 44D2D2M50T
  • UNII-44D2D2M50T
  • DTXSID901319116
  • orb1989651
  • CHEMBL1212995
  • SCHEMBL10063296
  • CHEBI:80035
  • DTXCID501748072
  • EX-A5466
  • HY-N1243
  • BBF-03430
  • AKOS026674012
  • DA-58801
  • CS-0016644
  • J2.796.247E
  • C15703
  • (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoic acid
  • Q27149182
  • (2S,4R)-2-Methyl-4-[2-[(1R,3R)-1-acetoxy-3-[[N-[[(2R)-1-methyl-2beta-piperidinyl]carbonyl]-L-isoleucyl](butanoyloxymethyl)amino]-4-methylpentyl]thiazole-4-ylcarbonylamino]-5-(4-hydroxyphenyl)pentanoic acid
  • (2S,4R)-2-Methyl-4-[[2-[(1R,3R)-1-acetoxy-3-[[(butyryloxy)methyl][(2S,3S)-2-[[(1-methylpiperidine-2beta-yl)carbonyl]amino]-3-methylpentanoyl]amino]-4-methylpentyl]thiazole-4-yl]carbonylamino]-5-(4-hydroxyphenyl)pentanoic acid
  • (2S,4R)-4-((2-((1R,3R)-1-acetyloxy-3-(butanoyloxymethyl-((2S,3S)-3-methyl-2-(((2R)-1-methylpiperidine-2-carbonyl)amino)pentanoyl)amino)-4-methylpentyl)-1,3-thiazole-4-carbonyl)amino)-5-(4-hydroxyphenyl)-2-methylpentanoic acid
  • (2S,4R)-4-({2-[(1R,3R)-1-(Acetyloxy)-3-([(butanoyloxy)methyl]{N-[(2R)-1-methylpiperidine-2-carbonyl]-L-isoleucyl}amino)-4-methylpentyl]-1,3-thiazole-4-carbonyl}amino)-5-(4-hydroxyphenyl)-2-methylpentanoic acid
  • (2S,4R)-4-({2-[(1R,3R)-1-(acetyloxy)-3-[(2S,3S)-N-[(butanoyloxy)methyl]-3-methyl-2-{[(2R)-1-methylpiperidin-2-yl]formamido}pentanamido]-4-methylpentyl]-1,3-thiazol-4-yl}formamido)-5-(4-hydroxyphenyl)-2-methylpentanoic acid
  • 4-((2-(1-acetyloxy-3-(butanoyloxymethyl-(3-methyl-2-((1-methylpiperidine-2-carbonyl)amino)pentanoyl)amino)-4-methylpentyl)-1,3-thiazole-4-carbonyl)amino)-5-(4-hydroxyphenyl)-2-methylpentanoic acid
  • BENZENEPENTANOIC ACID, .GAMMA.-(((2-((1R,3R)-1-(ACETYLOXY)-4-METHYL-3-(((2S,3S)-3-METHYL-2-((((2R)-1-METHYL-2-PIPERIDINYL)CARBONYL)AMINO)-1-OXOPENTYL)((1-OXOBUTOXY)METHYL)AMINO)PENTYL)-4-THIAZOLYL)CARBONYL)AMINO)-4-HYDROXY-.ALPHA.-METHYL-, (.ALPHA.S,.GAMMA.R)-
  • Benzenepentanoic acid, gamma-(((2-((1R,3R)-1-(acetyloxy)-4-methyl-3-(((2S,3S)-3-methyl-2-((((2R)-1-methyl-2-piperidinyl)carbonyl)amino)-1-oxopentyl)((1-oxobutoxy)methyl)amino)pentyl)-4-thiazolyl)carbonyl)amino)-4-hydroxy-alpha-methyl-, (alphaS,.gam
  • Benzenepentanoic acid, gamma-[[[2-[(1R,3R)-1-(acetyloxy)-4-methyl-3-[[(2S,3S)-3-methyl-2-[[[(2R)-1-methyl-2-piperidinyl]carbonyl]amino]-1-oxopentyl][(1-oxobutoxy)methyl]amino]pentyl]-4-thiazolyl]carbonyl]amino]-4-hydroxy-alpha-methyl-, (alphaS,gammaR)-