API reference

Oxodotreotide

CAS number
177943-88-3
Molecular formula
C65H90N14O19S2
Molecular weight
1,435.6 g/mol
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Oxodotreotide — 2D structure
2D structure (PubChem)

Identifiers

IUPAC name
(2S,3R)-2-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[(2R)-3-phenyl-2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propanoyl]amino]-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid
InChIKey
QVFLVLMYXXNJDT-CSBVGUNJSA-N
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=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
PubChem CID
11170867

Also known as

Dotatate · DOTA-octreotate · DOTA-TATE · Oxodotreotide · DOTA-(Tyr3)-octreotate · DOTATATE, Acetate salt

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