1-[2-amino-3-(4-hydroxy-3-(131I)iodanylphenyl)propanoyl]-N-[1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]pyrrolidine-2-carboxamide
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![1-[2-amino-3-(4-hydroxy-3-(131I)iodanylphenyl)propanoyl]-N-[1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]pyrrolidine-2-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d606fb9516184edb9878fded845a0f39.png "1-[2-amino-3-(4-hydroxy-3-(131I)iodanylphenyl)propanoyl]-N-[1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]pyrrolidine-2-carboxamide")
1-[2-amino-3-(4-hydroxy-3-(131I)iodanylphenyl)propanoyl]-N-[1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]pyrrolidine-2-carboxamide
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CAS No:
126251-21-6
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Formula:
C21H30ClIN6O4
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Chemical Name:
1-[2-amino-3-(4-hydroxy-3-(131I)iodanylphenyl)propanoyl]-N-[1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]pyrrolidine-2-carboxamide
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Synonyms:
(123)I-tyrosylprolylarginyl chloromethyl ketone;123I-YPACK;iodotyrosyl-prolyl-arginyl chloromethyl ketone;iodotyrosyl-prolyl-arginyl chloromethyl ketone, I123-labeled;126251-21-6;123I-Ypack;Iodotyrosyl-prolyl-arginyl chloromethyl ketone;(123)I-Tyrosylprolylarginyl chloromethyl ketone;DTXSID50925471;Iodotyrosyl-prolyl-arginyl chloromethyl ketone, I123-labeled;N-(6-Carbamimidamido-1-chloro-2-oxohexan-3-yl)-1-[3-(~131~I)iodotyrosyl]pyrrolidine-2-carboximidic acid
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CAS No:
1-[2-amino-3-(4-hydroxy-3-(131I)iodanylphenyl)propanoyl]-N-[1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]pyrrolidine-2-carboxamide Basic Attributes
596.9 g/mol
596.107833 g/mol
Computed Properties
Molecular Weight:596.9
XLogP3:0.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:11
Exact Mass:596.107833
Monoisotopic Mass:596.107833
Topological Polar Surface Area:177
Heavy Atom Count:33
Complexity:723
Isotope Atom Count:1
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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