3-MERCAPTO-3-METHYL-BUTYRYL-TYR(ME)-PHE-GLN-ASN-CYS-PRO-ARG-GLY-NH2
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3-MERCAPTO-3-METHYL-BUTYRYL-TYR(ME)-PHE-GLN-ASN-CYS-PRO-ARG-GLY-NH2
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CAS No:
67269-08-3
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Formula:
C49H70N14O12S2
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Chemical Name:
3-MERCAPTO-3-METHYL-BUTYRYL-TYR(ME)-PHE-GLN-ASN-CYS-PRO-ARG-GLY-NH2
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Synonyms:
vasopressin deamino-Pen1,O-Me-tyrosine-2,arginine-8;
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CAS No:
3-MERCAPTO-3-METHYL-BUTYRYL-TYR(ME)-PHE-GLN-ASN-CYS-PRO-ARG-GLY-NH2 Basic Attributes
1111.30000
1110.47390607 g/mol
Safety Information
Xn
|Warning|H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]|P261, P271, P304+P312, P304+P340, and P312|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:1111.3
XLogP3:-3.1
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:20
Exact Mass:1110.47390607
Monoisotopic Mass:1110.47390607
Topological Polar Surface Area:478
Heavy Atom Count:77
Complexity:2140
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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