CAS
55019-66-4 Purity
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55019-66-4 Purity
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Isotocin
CAS
550-21-0
Catalog Number
ACM550210
Category
Other Products
Molecular Weight
966.14
Molecular Formula
C41H63N11O12S2
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Specification
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
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
Density
1.277 g/cm³
Appearance
White fluffy powder
Exact Mass
965.41000
H-Bond Acceptor
13
H-Bond Donor
12
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55021-63-1 Purity
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