Primary Record
Dotatate
- In stock
- 6,165 g
- Purity
- 98.9 %
- CAS
- 177943-88-3
Compound Identifiers & Properties
- CAS
- 177943-88-3
- PubChem CID
- 165712951
- SMILES
- C[C@H](C1C(=O)NC(CSSC[C@@H](C(=O)NC(C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)O
- Canonical SMILES
- C[C@@H](O)C1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSCC(C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC1=O
Names & Synonyms
- Dotatate
- DITA-TATE
- EBC-27561
- J3.079.423K
- EN300-25037973
- (2S,3R)-2-{[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-19-[(2R)-3-phenyl-2-{2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetamido}propanamido]-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]formamido}-3-hydroxybutanoic acid
- 177943-88-3
- N-[2-[4,7,10-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane-1-yl]acetyl]-D-Phe-L-Cys(1)-L-Tyr-D-Trp-L-Lys-L-Thr-L-Cys(1)-[(1S,2R)-1-carboxy-2-hydroxypropyl]NH2
- N-[4,7,10-Tri(carboxymethyl)-1,4,7,10-tetraazacyclododecane-1-ylacetyl]-D-Phe-L-Cys(1)-L-Tyr-D-Trp-L-Lys-L-Thr-L-Cys(1)-[(1S,2R)-1-carboxy-2-hydroxypropyl]-NH2
- N-[4,7,10-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane-1-ylacetyl]-D-Phe-L-Cys(1)-L-Tyr-D-Trp-L-Lys-L-Thr-L-Cys(1)-L-Thr-OH
- N-[4,7,10-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane-1-ylacetyl]-D-Phe-L-Cys(1)-L-Tyr-D-Trp-L-Lys-L-Thr-L-Cys(1)-Thr-OH