(4S)-5-[[2-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-2-oxoethyl]amino]-3-(chloromethyl)-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-oxopentanoic acid
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![(4S)-5-[[2-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-2-oxoethyl]amino]-3-(chloromethyl)-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/583a78d191c34a11b5250ff495740d92.png "(4S)-5-[[2-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-2-oxoethyl]amino]-3-(chloromethyl)-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-oxopentanoic acid")
(4S)-5-[[2-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-2-oxoethyl]amino]-3-(chloromethyl)-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-oxopentanoic acid
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CAS No:
119206-61-0
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Formula:
C26H36ClN7O8S
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Chemical Name:
(4S)-5-[[2-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-2-oxoethyl]amino]-3-(chloromethyl)-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-oxopentanoic acid
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Synonyms:
Dansylglutamyl-glycyl-arginyl chloromethyl ester; Degrck; Dansyl-glu-gly-arg-chloromethyl ester;
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CAS No:
(4S)-5-[[2-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-2-oxoethyl]amino]-3-(chloromethyl)-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-oxopentanoic acid Basic Attributes
642.12400
641.2034600
Computed Properties
Molecular Weight:642.1
XLogP3:0.1
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:17
Exact Mass:641.2034600
Monoisotopic Mass:641.2034600
Topological Polar Surface Area:255
Heavy Atom Count:43
Complexity:1110
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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