Isotocin

CAS
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Purity
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CAS
550-21-0
Size
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Purity
96%
Price
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Catalog Number

ACM550210

Product Name

Isotocin

Structure

CAS

550-21-0

Category

Heterocyclic Organic Compound

Synonyms

Isotocin;(Ser4,Ile8)-Oxytocin

IUPAC Name

(2S)-1-[(4R,7S,10S,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-methy

Molecular Weight

966.14

Molecular Formula

C₄₁H₆₃N₁₁O₁₂S₂

Canonical SMILES

CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(C(C)CC)C(=O)NCC(=O)N)CC(=O)N)CO

InChI Key

XMINXPSYULINQV-WZONHCQSSA-N

Boiling Point

1483.4ºC at 760 mmHg

Flash Point

850.9ºC