BETA-MERCAPTO-BETA,BETA-CYCLOPENTAMETHYLENE-PROPIONYL-TYR(ME)-ILE-GLN-ASN-CYS-PRO-ORN-GLY-NH2
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BETA-MERCAPTO-BETA,BETA-CYCLOPENTAMETHYLENE-PROPIONYL-TYR(ME)-ILE-GLN-ASN-CYS-PRO-ORN-GLY-NH2
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CAS No:
77327-45-8
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Formula:
C48H74N12O12S2
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Chemical Name:
BETA-MERCAPTO-BETA,BETA-CYCLOPENTAMETHYLENE-PROPIONYL-TYR(ME)-ILE-GLN-ASN-CYS-PRO-ORN-GLY-NH2
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Synonyms:
PMP-TYR(ME)-ILE-GLN-ASN-CYS-PRO-ORN-GLY-NH2;[PMP1,TYR(OME)2,ORN8] VASOTOCIN;me)(2)-orn(8)-;oxytocin,1-(beta-mercapto-(beta,beta-cyclopentamethylene)propionicacid)-tyr(o;(D(CH2)(5/1),TYR(ME)2,ORN8)-OXYTOCIN;[D(CH2)51, TYR(ME)2, ORN8]-VASOTOCIN;BETA-MERCAPTO-BETA,BETA-CYCLOPENTAMETHYLENE-PROPIONYL-TYR(ME)-ILE-GLN-ASN-CYS-PRO-ORN-GLY-NH2;(D(CH2)51,(METHYL)TYR2,ORN8)-OXYTOCIN
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CAS No:
BETA-MERCAPTO-BETA,BETA-CYCLOPENTAMETHYLENE-PROPIONYL-TYR(ME)-ILE-GLN-ASN-CYS-PRO-ORN-GLY-NH2 Basic Attributes
1075.3
1074.499023
Computed Properties
Molecular Weight:1075.3
XLogP3:-1.7
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:19
Exact Mass:1074.49905819
Monoisotopic Mass:1074.49905819
Topological Polar Surface Area:439
Heavy Atom Count:74
Complexity:2010
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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