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Chemical structure of [Glu4]-Oxytocin

GC72178

[Glu4]-Oxytocin

Also known as 3-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-4-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-10-yl]propanoic acid

[Glu4]-Oxytocin is an appropriate derivative of oxytocin for conducting a comprehensive investigation by a variety of methods of the conformation of “oxytocin-like” molecules in aqueous solution

ChemicalCAS4314-67-4MW1008.17FormulaC43H65N11O13S2
CAS number
4314-67-4
Molecular weight
1008.17
Formula
C43H65N11O13S2
Solubility
DMSO ： 100 mg/mL (99·19 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
ANHHFWYHJRAVNA-OMTOYRQASA-N
Catalogue number
GC72178
Brand
GLPBIO
Computed properties PubChem CID 188978 · XLogP -4.2 · TPSA 444 Ų · H-bond donors 12
XLogP
-4.2
TPSA
444 Ų
H-bond donors
12
H-bond acceptors
16
Rotatable bonds
17
Heavy atoms
69

SMILES CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)O

Computed descriptors from PubChem (CID 188978), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Lead time
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Documents
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