Account (2S,4R)-4-(2-((1R,3R)-1-Acetoxy-3-((2S,3S)-2-((R)-1-(((4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl)oxy)carbonyl)piperidine-2-carboxamido)-N,3-dimethylpentanamido)-4-methylpentyl)thiaz
- Catalog No. :
- ACMAQK636
- CAS No. :
- 1639939-56-2
- Molecular Formula :
- C66H93N11O15S
- Molecular Weight :
- 1312.60
IUPAC Name:(2S,4R)-4-(2-((1R,3R)-1-Acetoxy-3-((2S,3S)-2-((R)-1-(((4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl)oxy)carbonyl)piperidine-2-carboxamido)-N,3-dimethylpentanamido)-4-methylpentyl)thiaz
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Product Information
| Product Name | (2S,4R)-4-(2-((1R,3R)-1-Acetoxy-3-((2S,3S)-2-((R)-1-(((4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl)oxy)carbonyl)piperidine-2-carboxamido)-N,3-dimethylpentanamido)-4-methylpentyl)thiaz |
|---|---|
| IUPAC Name | (2S,4R)-4-(2-((1R,3R)-1-Acetoxy-3-((2S,3S)-2-((R)-1-(((4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl)oxy)carbonyl)piperidine-2-carboxamido)-N,3-dimethylpentanamido)-4-methylpentyl)thiaz |
| Molecular Formula | C66H93N11O15S |
| Molecular Weight | 1312.60 |
| SMILES | O=C([C@@H]1N(CCCC1)C(OCC2=CC=C(C=C2)NC([C@H](CCCNC(N)=O)NC([C@H](C(C)C)NC(CCCCCN3C(C=CC3=O)=O)=O)=O)=O)=O)N[C@@H]([C@@H](C)CC)C(N(C)[C@@H](C(C)C)C[C@H](C4=NC(C(N[C@H](C[C@H](C)C(O)=O)CC5=CC=CC=C5)=O)=CS4)OC(C)=O)=O |
| InChI Key | RIMZNVUCGMFJGP-KCYCJFSYSA-N |
| Synonym | MC-VC-PAB-Tubulysin M;L-Ornithinamide, N-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-valyl-N-[4-[[[[(2R)-2-[[[(1S,2S)-1-[[[(1R,3R)-3-(acetyloxy)-3-[4-[[[(1R,3S)-3-carboxy-1-(phenylmethyl)butyl]amino]carbonyl]-2-thiazolyl]-1-(1-methylethyl)propyl]methylamino]carbonyl]-2-methylbutyl]amino]carbonyl]-1-piperidinyl]carbonyl]oxy]methyl]phenyl]-N5-(aminocarbonyl)-;(2S,4R)-4-[[2-[(1R,3R)-1-acetoxy-3-[[(2S,3S)-2-[[(2R)-1-[[4-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methyl-butanoyl]amino]-5-ureido-pentanoyl]amino]phenyl]methoxycarbonyl]piperidine-2-carbonyl]amino]-3-methyl-pentanoyl]-methyl-amino]-4-methyl-pentyl]thiazole-4-carbonyl]amino]-2-methyl-5-phenyl-pentanoic acid;L-Ornithinamide, N-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-valyl-N-[4-[[[[(2R)-2-[[[(1S,2S)-1-[[[(1R,3R)-3-(acetyloxy)-3-[4-[[[(1R,3S)-3-carboxy-1-(phenylmethyl)butyl]amino]carbonyl]-2-thiazolyl]-1-(1-methylethyl)propyl]methylamino]carbonyl]-2-methylbutyl]amino]carbonyl]-1-piperidiny... |
| CAS No. | 1639939-56-2 |
Synthetic Route by SureRoute
2. ACMAQK636 Molecular Building Block Synthetic Route
AZ1508
MC-VC(S)-PABQ-Tubulysin M
1-(4-((S)-2-((S)-2-(6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)phenyl)-3-oxo-2,7,10,13-tetraoxa-4-azapentadecan-15-yl 2-((2S,4R)-5-(4-hydroxyphenyl)-2-methyl-4-(2-((1R,3R)-4-methyl-3-((2S,3S)-3-methyl-2-((R)-1-methylpiperidine-2-carboxamido)-N-propylpentanamido)-1-propoxypentyl)thiazole-4-carboxamido)pentanoyl)hydrazine-1-carboxylate