(2S)-N-[5-[3-[4-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butylamino]propanoylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide
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![(2S)-N-[5-[3-[4-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butylamino]propanoylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f1473dd579be4126bee381232cd9c902.png "(2S)-N-[5-[3-[4-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butylamino]propanoylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide")
(2S)-N-[5-[3-[4-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butylamino]propanoylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide
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CAS No:
107288-22-2
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Formula:
C30H52N10O7
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Chemical Name:
(2S)-N-[5-[3-[4-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butylamino]propanoylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide
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Synonyms:
NSTX-3;CHEMBL2178917;107288-22-2;NSTX-3;Neurotoxin 3 (Nephila maculata);Nephila spider toxin 3;Neurotoxin 3[Nephila maculata];DTXSID50910281;BDBM50399433;N~1~-(17,22-Diamino-7,16-dihydroxy-22-imino-6,10,15,21-tetraazadocosa-6,15-dien-1-yl)-2-{[2-(2,4-dihydroxyphenyl)-1-hydroxyethylidene]amino}butanediimidic acid
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CAS No:
(2S)-N-[5-[3-[4-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butylamino]propanoylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide Basic Attributes
664.8 g/mol
664.40204404 g/mol
Computed Properties
Molecular Weight:664.8
XLogP3:-3.1
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:25
Exact Mass:664.40204404
Monoisotopic Mass:664.40204404
Topological Polar Surface Area:302
Heavy Atom Count:47
Complexity:996
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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