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122842-47-1 | Oxytocin, 8-L-arginine-9a-glycine-9b-L-lysine-9c-L-arginine-
CAS No: 122842-47-1 Catalog No: AG000JKZ MDL No:
Product Description
Catalog Number:
AG000JKZ
Chemical Name:
Oxytocin, 8-L-arginine-9a-glycine-9b-L-lysine-9c-L-arginine-
CAS Number:
122842-47-1
Molecular Formula:
O3Ru
Molecular Weight:
149.0682
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]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
InChI:
InChI=1S/C57H93N21O16S2/c1-3-29(2)45-53(91)72-35(17-18-41(60)80)49(87)75-38(24-42(61)81)50(88)76-39(28-96-95-27-32(59)46(84)74-37(51(89)77-45)23-30-13-15-31(79)16-14-30)54(92)78-22-8-12-40(78)52(90)71-33(10-6-20-66-56(62)63)47(85)69-25-43(82)68-26-44(83)70-34(9-4-5-19-58)48(86)73-36(55(93)94)11-7-21-67-57(64)65/h13-16,29,32-40,45,79H,3-12,17-28,58-59H2,1-2H3,(H2,60,80)(H2,61,81)(H,68,82)(H,69,85)(H,70,83)(H,71,90)(H,72,91)(H,73,86)(H,74,84)(H,75,87)(H,76,88)(H,77,89)(H,93,94)(H4,62,63,66)(H4,64,65,67)/t29-,32-,33-,34-,35-,36-,37-,38-,39-,40-,45?/m0/s1
InChI Key:
BJRAYGWQMPNTHC-CAOVDFMNSA-N
SMILES:
O.O.O.[Ru]
Properties
Complexity:
2750
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
0
Exact Mass:
1391.655g/mol
Formal Charge:
0
Heavy Atom Count:
96
Hydrogen Bond Acceptor Count:
22
Hydrogen Bond Donor Count:
20
Isotope Atom Count:
0
Molecular Weight:
1392.622g/mol
Monoisotopic Mass:
1391.655g/mol
Rotatable Bond Count:
33
Topological Polar Surface Area:
687A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-9.3
Literature
| Title | Journal |
|---|---|
| The water-absorption region of ventral skin of several semiterrestrial and aquatic anuran amphibians identified by aquaporins. | American journal of physiology. Regulatory, integrative and comparative physiology 20101101 |
| Correlation between aquaporin and water permeability in response to vasotocin, hydrin and {beta}-adrenergic effectors in the ventral pelvic skin of the tree frog Hyla japonica. | The Journal of experimental biology 20100115 |
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