CAS
122839-56-9 Purity
96%
122839-56-9 Purity
96%
![5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-amino-3-[[2,3-dihydro-2-(2-hydroxyethyl)-3-imino-1H-pyrazol-1-yl]methyl]-8-oxo-,monohydrochloride,(6R,7R)-(9ci)](https://resource.alfa-chemistry.com/structure/122841-17-2.gif)
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Hydrin 1(9ci)
CAS
122842-47-1
Catalog Number
ACM122842471
Category
Other Products
Molecular Weight
1392.6094
Molecular Formula
C57H93N21O16S2
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Specification
Synonyms
Hydrin 1, CID195374, Oxytocin, 8-L-arginine-9a-glycine-9b-L-lysine-9c-L-arginine-, 122842-47-1
IUPAC Name
(2S)-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-2-[[(2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-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-pentazacycloicosane-4-carbonyl]
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(CCCN=C(N)N)C(=O)NCC(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)O)CC(=O)N)CCC(=O)N
InChI Key
BJRAYGWQMPNTHC-CAOVDFMNSA-N
Density
1.57 g/cm³
Exact Mass
1391.66000
H-Bond Acceptor
24
H-Bond Donor
20
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