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(Ser4, Ile8) -Oxytocin

CAT: 1410-M40316Size: 1 EachDry Ice: NoHazardous: No
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Description
Isotocin ((Ser4, Ile8) -Oxytocin) is a polypeptide that can be found by peptide screening. Peptide screening is a research tool that pools active peptides primarily by immunoassay. Peptide screening can be used for protein interaction, functional analysis, epitope screening, especially in the field of agent research and development.
CAS Number
550-21-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
966.15
Molecular Formula
C41H63N11O12S2
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Isotocin

Isotocin is a cyclic peptide.

CAS Number550-21-0
PubChem CID10486087
IUPAC Name(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-10-(hydroxymethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S,3S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Molecular FormulaC41H63N11O12S2
Molecular Weight966.1
XLogP-1.9
Topological Polar Surface Area427
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count15
Rotatable Bond Count15
Heavy Atom Count66
Formal Charge0
Complexity1760
SMILES
CC[C@H](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]([C@@H](C)CC)C(=O)NCC(=O)N)CC(=O)N)CO
InChI
InChI=1S/C41H63N11O12S2/c1-5-20(3)32(39(62)45-16-31(44)56)51-38(61)29-8-7-13-52(29)41(64)28-19-66-65-18-24(42)34(57)46-25(14-22-9-11-23(54)12-10-22)36(59)50-33(21(4)6-2)40(63)48-27(17-53)37(60)47-26(15-30(43)55)35(58)49-28/h9-12,20-21,24-29,32-33,53-54H,5-8,13-19,42H2,1-4H3,(H2,43,55)(H2,44,56)(H,45,62)(H,46,57)(H,47,60)(H,48,63)(H,49,58)(H,50,59)(H,51,61)/t20-,21-,24-,25-,26-,27-,28-,29-,32-,33-/m0/s1
InChIKey
XMINXPSYULINQV-XPLLYYSMSA-N
Chemical Structure
2D Structure
2D structure of Isotocin
CAS: 550-21-0
CID: 10486087
Formula: C41H63N11O12S2
MW: 966.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight966.1
XLogP3-1.9
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count15
Rotatable Bond Count15
Exact Mass965.40990883
Monoisotopic Mass965.40990883
Topological Polar Surface Area427 Ų
Heavy Atom Count66
Formal Charge0
Complexity1760
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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