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Chemical structure of [Asp5]-Oxytocin

GC68698

[Asp5]-Oxytocin

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

[Asp5]-Oxytocin is a highly potent 5-position-neurohypophysial hormone analog· It can induce uterine contractions in vitro in rats and can be enhanced by magnesium ions· [Asp5]-Oxytocin has the ability to act as a rat uterotonic, avian vasopressin inhibitor, and rat antidiuretic agent

ChemicalCAS65907-78-0MW1008.17FormulaC43H65N11O13S2
CAS number
65907-78-0
Molecular weight
1008.17
Formula
C43H65N11O13S2
InChIKey
BKQNCZBCEMVEEP-OMTOYRQASA-N
Catalogue number
GC68698
Brand
GLPBIO
Computed properties PubChem CID 191785 · 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)O)CCC(=O)N

Computed descriptors from PubChem (CID 191785), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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