Primary Record
Tubulysin I
- In stock
- 3,732 g
- Purity
- 99.5 %
- CAS
- 799822-10-9
Compound Identifiers & Properties
- CAS
- 799822-10-9
- PubChem CID
- 11422937
- SMILES
- CC[C@H](C)[C@@H](C(=O)N(COC(=O)C)[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)NC(=O)[C@H]3CCCCN3C
- Canonical SMILES
- CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(COC(C)=O)[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
Names & Synonyms
- Tubulysin I
- RefChem:192471
- orb1989645
- SCHEMBL29475220
- EX-A5466J
- CHEBI:218315
- HY-N7052
- AKOS040740947
- CID11422937
- 799822-10-9
- CID 11422937
- DA-78697
- CS-0101871
- J3.220.713H
- (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[acetyloxymethyl-[(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-((2S,3S)-N-((acetyloxy)methyl)-2-((hydroxy((2R)-1-methylpiperidin-2-yl)methylidene)amino)-3-methylpentanamido)-4-methylpentyl)-1,3-thiazol-4-yl)(hydroxy)methylidene)amino)-5-(4-hydroxyphenyl)-2-methylpentanoate
- (2S,4R)-4-((2-((1R,3R)-1-acetyloxy-3-(acetyloxymethyl-((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-[(2S,3S)-N-[(acetyloxy)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
- (2S,4R)-4-[({2-[(1R,3R)-1-(acetyloxy)-3-[(2S,3S)-N-[(acetyloxy)methyl]-2-({hydroxy[(2R)-1-methylpiperidin-2-yl]methylidene}amino)-3-methylpentanamido]-4-methylpentyl]-1,3-thiazol-4-yl}(hydroxy)methylidene)amino]-5-(4-hydroxyphenyl)-2-methylpentanoate
- (2S,4R)-4-[[[2-[(1R,3R)-3-[(Acetyloxymethyl)[N-[[(2R)-1-methylpiperidine-2-yl]carbonyl]-L-isoleucyl]amino]-1-(acetoxy)-3-isopropylpropyl]thiazole-4-yl]carbonyl]amino]-2-methyl-5-(4-hydroxyphenyl)pentanoic acid