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Chemical structure of [Leu3]-Oxytocin

GC72179

[Leu3]-Oxytocin

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

[Leu3]-Oxytocin, an oxytocin analogue, is derived by structural variation in sequence position 3 replaced by leucine (Leu)

ChemicalCAS4294-11-5MW1007.19FormulaC43H66N12O12S2
CAS number
4294-11-5
Molecular weight
1007.19
Formula
C43H66N12O12S2
Solubility
DMSO ： 100 mg/mL (99·29 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
FRAJVCQUOFINCU-ALERXTORSA-N
Catalogue number
GC72179
Brand
GLPBIO
Computed properties PubChem CID 162678829 · XLogP -2.6 · TPSA 450 Ų · H-bond donors 12
XLogP
-2.6
TPSA
450 Ų
H-bond donors
12
H-bond acceptors
15
Rotatable bonds
17
Heavy atoms
69

SMILES CC(C)C[C@H]1C(=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)N

Computed descriptors from PubChem (CID 162678829), 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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