Account MC-Val-Cit-PAB-MMAF
- Catalog No. :
- ACWDZM297
- CAS No. :
- 863971-17-9
- Molecular Formula :
- C68H103N11O16
- Molecular Weight :
- 1330.63
IUPAC Name:((2R,3R)-3-((R)-1-((3R,4R,5S)-4-((S)-2-((S)-2-((((4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl)oxy)carbonyl)(methyl)amino)-3-methylbutanamido)-N,3-dimethylbutanamido)-3-methoxy-5-methylheptanoyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl)-L-phenylalanine
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Product Information
| Product Name | MC-Val-Cit-PAB-MMAF |
|---|---|
| IUPAC Name | ((2R,3R)-3-((R)-1-((3R,4R,5S)-4-((S)-2-((S)-2-((((4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl)oxy)carbonyl)(methyl)amino)-3-methylbutanamido)-N,3-dimethylbutanamido)-3-methoxy-5-methylheptanoyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl)-L-phenylalanine |
| MDL No. | MFCD28398145 |
| Molecular Formula | C68H103N11O16 |
| Molecular Weight | 1330.63 |
| SMILES | O=C(O)[C@@H](NC([C@H](C)[C@H]([C@@H]1N(C(C[C@@H](OC)[C@@H]([C@@H](C)CC)N(C)C([C@H](C(C)C)NC([C@H](C(C)C)N(C)C(OCC2=CC=C(NC([C@@H](NC([C@@H](NC(CCCCCN3C(C=CC3=O)=O)=O)C(C)C)=O)CCCNC(N)=O)=O)C=C2)=O)=O)=O)=O)CCC1)OC)=O)CC4=CC=CC=C4 |
| InChI Key | BDITVJHHJUTHBB-NWTGCASWSA-N |
| Synonym | Val-Cit-PAB-MMAF;(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid;(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl;L-Phenylalanine, N-[[[4-[[N-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-valyl-N5-(aminocarbonyl)-L-ornithyl]amino]phenyl]methoxy]carbonyl]-N-methyl-L-valyl-L-valyl-(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoyl-(αR,βR,2S)-β-methoxy-α-methyl-2-pyrrolidinepropanoyl-;Mc-VC-MMAF;MC-VC-PAB-MMAF;2-[[3-[1-[4-[[2-[[2-[[4-[[5-(Carbamoylamino)-2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonyl;Benzoicacid,3,4,7-tris(phenylmethoxy)- |
| CAS No. | 863971-17-9 |
| PubChem CID | 76372040 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302
- Precautionary Statement(s)
- P280-P305+P351+P338
Synthetic Route by SureRoute
2. ACWDZM297 Molecular Building Block Synthetic Route
Val-Cit-PAB-MMAF
4-((S)-2-((S)-2-(6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl ((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate
4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl ((2S)-1-(((2S)-1-(((4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate