Satoreotide Tetraxetan
2-[4-[2-[[(2S)-1-[[(4R,7S,10S,13R,16S,19S)-10-(4-aminobutyl)-4-[[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-13-[[4-(carbamoylamino)phenyl]methyl]-16-[[4-[[(4S)-2,6-dioxo-1,3-diazinane-4-carbonyl]amino]phenyl]methyl]-7-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular Identity
Satoreotide Tetraxetan
2-[4-[2-[[(2S)-1-[[(4R,7S,10S,13R,16S,19S)-10-(4-aminobutyl)-4-[[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-13-[[4-(carbamoylamino)phenyl]methyl]-16-[[4-[[(4S)-2,6-dioxo-1,3-diazinane-4-carbonyl]amino]phenyl]methyl]-7-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
PubChem CID: 24894654
2D Structure
Properties
C74H98ClN19O21S2
Molecular Formula
1689.30
Molecular Weight
g/mol
1687.6315
Exact Mass
Da
-8.5
XLogP
Drug-like (Lipinski: < 5)
660
TPSA
May have limited oral absorption
20
H-Bond Donors
28
H-Bond Acceptors
3370
Complexity
SMILES
Canonical SMILES
SMILES: CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CC=C(C=C2)NC(=O)N)CC3=CC=C(C=C3)NC(=O)C4CC(=O)NC(=O)N4)NC(=O)C(CC5=CC=C(C=C5)Cl)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)NC(CC7=CC=C(C=C7)O)C(=O)N)OIsomeric SMILES
SMILES: C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CC=C(C=C2)NC(=O)N)CC3=CC=C(C=C3)NC(=O)[C@@H]4CC(=O)NC(=O)N4)NC(=O)[C@H](CC5=CC=C(C=C5)Cl)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@H](CC7=CC=C(C=C7)O)C(=O)N)OSynonyms(20)
DOTA satoreotideSatoreotide tetraxetanEC1O2FB9FVUNII-EC1O2FB9FVDOTA-JR-11satoreotida tetraxetanSATOREOTIDE TETRAXETAN [INN]D-TYROSINAMIDE, 4-CHLORO-N-(2-(4,7,10-TRIS(CARBOXYMETHYL)-1,4,7,10-TETRAAZACYCLODODEC-1-YL)ACETYL)-L-PHENYLALANYL-D-CYSTEINYL-4-((((4S)-HEXAHYDRO-2,6-DIOXO-4-PYRIMIDINYL)CARBONYL)AMINO)-L-PHENYLALANYL-4-((AMINOCARBONYL)AMINO)-D-PHENYLALANYL-L-LYSYL-L-THREONYL-L-CYSTEINYL-, CYCLIC (2->7)-DISULFIDEsatoreotidum tetraxetanumRefChem:1814981039726-31-2DOTA-JR11Satoreotide DOTAorb2277324CHEMBL4297531
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Satoreotide Tetraxetan
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