Account 4-((19S,22S)-1-(((E)-Cyclooct-4-en-1-yl)oxy)-19-isopropyl-1,17,20-trioxo-22-(3-ureidopropyl)-5,8,11,14-tetraoxa-2,18,21-triazatricosan-23-amido)benzyl ((S)-1-((S)-2-(((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-methylbutanamido)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate
- Catalog No. :
- ACLGEF302
- CAS No. :
- 2758671-45-1
- Molecular Formula :
- C78H127N11O19
- Molecular Weight :
- 1522.93
IUPAC Name:4-((19S,22S)-1-(((E)-cyclooct-4-en-1-yl)oxy)-19-isopropyl-1,17,20-trioxo-22-(3-ureidopropyl)-5,8,11,14-tetraoxa-2,18,21-triazatricosan-23-amido)benzyl ((S)-1-((S)-2-(((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-methylbutanamido)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate
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Product Information
| Product Name | 4-((19S,22S)-1-(((E)-Cyclooct-4-en-1-yl)oxy)-19-isopropyl-1,17,20-trioxo-22-(3-ureidopropyl)-5,8,11,14-tetraoxa-2,18,21-triazatricosan-23-amido)benzyl ((S)-1-((S)-2-(((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-methylbutanamido)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate |
|---|---|
| IUPAC Name | 4-((19S,22S)-1-(((E)-cyclooct-4-en-1-yl)oxy)-19-isopropyl-1,17,20-trioxo-22-(3-ureidopropyl)-5,8,11,14-tetraoxa-2,18,21-triazatricosan-23-amido)benzyl ((S)-1-((S)-2-(((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-methylbutanamido)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate |
| MDL No. | MFCD34677019 |
| Molecular Formula | C78H127N11O19 |
| Molecular Weight | 1522.93 |
| SMILES | CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)C1=CC=CC=C1)OC)N(C)[C@H](C(=O)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC1=CC=C(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)OC2CC/C=C/CCC2)C(C)C)C=C1)C(C)C |
| InChI Key | DESMEOKIVQGELJ-CYFMCQSESA-N |
| Synonym | L-Valinamide, N-[[[4-[[N-[17-[(4E)-4-cycloocten-1-yloxy]-1,17-dioxo-4,7,10,13-tetraoxa-16-azaheptadec-1-yl]-L-valyl-N5-(aminocarbonyl)-L-ornithyl]amino]phenyl]methoxy]carbonyl]-N-methyl-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-;TCO-PEG4-VC-PAB-MMAE;L-Valinamide, N-[[[4-[[N-[17-[(4E)-4-cycloocten-1-yloxy]-1,17-dioxo-4,7,10,13-tetraoxa-16-azaheptadec-1-yl]-L-valyl-N5-(aminocarbonyl)-L-ornithyl]amino]phenyl]methoxy]carbonyl]-N-methyl-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxo...;4-((19S,22S)-1-(((E)-Cyclooct-4-en-1-yl)oxy)-19-isopropyl-1,17,20-trioxo-22-(3-ureidopropyl)-5,8,11,14-tetraoxa-2,18,21-triazatricosan-23-amido)benzyl ((S)-1-((S)-2-(((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-methylbutanamido)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate |
| CAS No. | 2758671-45-1 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319
- Precautionary Statement(s)
- P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Synthetic Route by SureRoute
2. ACLGEF302 Molecular Building Block Synthetic Route
Amino-PEG4-Val-Cit-PAB-MMAE
4-((21S,24S)-1-((1R,8S,9s)-Bicyclo[6.1.0]non-4-yn-9-yl)-21-isopropyl-3,19,22-trioxo-24-(3-ureidopropyl)-2,7,10,13,16-pentaoxa-4,20,23-triazapentacosan-25-amido)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
Acetylene-linker-Val-Cit-PABC-MMAE