Account 3BP-3940
- Catalog No. :
- ACGVDH287
- CAS No. :
- 2803421-14-7
- Molecular Formula :
- C66H98N14O18S3
- Molecular Weight :
- 1471.79
IUPAC Name:2,2',2''-(10-(2-((2-((((12S,32S,5R,13R,16S,19S,22S)-19-(3-amino-3-oxopropyl)-16-benzyl-5-(3-butylureido)-13-carboxy-22-((R)-1-hydroxyethyl)-2,4,15,18,21,24-hexaoxo-7,11-dithia-14,17,20,23-tetraaza-1(1,2),3(2,1)-dipyrrolidina-9(1,3)-benzenacyclotetracosaphane-95-yl)methyl)thio)ethyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
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Product Information
| Product Name | 3BP-3940 |
|---|---|
| IUPAC Name | 2,2',2''-(10-(2-((2-((((12S,32S,5R,13R,16S,19S,22S)-19-(3-amino-3-oxopropyl)-16-benzyl-5-(3-butylureido)-13-carboxy-22-((R)-1-hydroxyethyl)-2,4,15,18,21,24-hexaoxo-7,11-dithia-14,17,20,23-tetraaza-1(1,2),3(2,1)-dipyrrolidina-9(1,3)-benzenacyclotetracosaphane-95-yl)methyl)thio)ethyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid |
| Molecular Formula | C66H98N14O18S3 |
| Molecular Weight | 1471.79 |
| SMILES | O=C1[C@]2(N(C(=O)[C@@H](NC(NCCCC)=O)CSCC=3C=C(C=C(CSCCNC(CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)=O)C3)CSC[C@@H](C(O)=O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@]([C@@H](C)O)(NC(=O)[C@]6(N1CCC6)[H])[H])CCC2)[H] |
| InChI Key | YIDMKSPNGLLPRM-YRXFYUGDSA-N |
| Synonym | nBu-CAyl-{Cys(tMeBn(DOTA-AET)-Pro-Pro-Thr-GIn-Phe-Cys}-OH;3BP-3940;nBu-CAyl-[Cys(tMeBn(DOTA-AET))-Pro-Pro-Thr-Gln-Phe-Cys]-OH;L-Cysteine, N-[(butylamino)carbonyl]-S-[[3-(mercaptomethyl)-5-[[[2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl]acetyl]amino]ethyl]thio]methyl]phenyl]methyl]-L-cysteinyl-L-prolyl-L-prolyl-L-threonyl-L-glutaminyl-L-phenylalanyl-, cyclic (1→7)-thioether |
| CAS No. | 2803421-14-7 |
Synthetic Route by SureRoute
2. ACGVDH287 Molecular Building Block Synthetic Route
2,2',2''-(10-(2-((2-((((12S,32S,5R,13R,16S,19S,22S)-19-(3-Amino-3-oxopropyl)-16-benzyl-13-carboxy-5-hexanamido-22-((R)-1-hydroxyethyl)-2,4,15,18,21,24-hexaoxo-7,11-dithia-14,17,20,23-tetraaza-1(1,2),3(2,1)-dipyrrolidina-9(1,3)-benzenacyclotetracosaphane-95-yl)methyl)thio)ethyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
Hexanoyl-L-cysteinyl-L-prolyl-L-prolyl-L-threonyl-L-glutaminyl-L-phenylalanyl-L-cysteine
PRDX3(103-112), human