methyl (2S)-2-[[(2S,3R)-3,7-diamino-2-hydroxyheptanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate
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![methyl (2S)-2-[[(2S,3R)-3,7-diamino-2-hydroxyheptanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1a86cb444b11472e8f3b3259297b04cf.png "methyl (2S)-2-[[(2S,3R)-3,7-diamino-2-hydroxyheptanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate")
methyl (2S)-2-[[(2S,3R)-3,7-diamino-2-hydroxyheptanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate
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CAS No:
138257-79-1
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Formula:
C25H31N5O6S
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Chemical Name:
methyl (2S)-2-[[(2S,3R)-3,7-diamino-2-hydroxyheptanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate
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Synonyms:
3,7-diamino-2-hydroxyheptanoic acid-2-(2-nitrophenylsulfenyl)tryptophan methyl ester;3,7-diamino-2-hydroxyheptanoic acid-2-(2-nitrophenylsulfenyl)tryptophan methyl ester dihydrochloride;DHA-TrpNPS;138257-79-1;Dha-trpnps;DTXSID30930043;3,7-Diamino-2-hydroxyheptanoic acid-2-(2-nitrophenylsulfenyl)tryptophan methyl ester;3,7-Diamino-2-hydroxy-N-(1-methoxy-3-{1-[(2-nitrophenyl)sulfanyl]-1H-indol-3-yl}-1-oxopropan-2-yl)heptanimidic acid;L-Tryptophan, N-(3,7-diamino-2-hydroxy-1-oxoheptyl)-1-((2-nitrophenyl)thio)-, methyl ester, (S-(R*,S*))-
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CAS No:
methyl (2S)-2-[[(2S,3R)-3,7-diamino-2-hydroxyheptanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate Basic Attributes
529.6 g/mol
529.19950490 g/mol
Drug Information
3,7-diamino-2-hydroxyheptanoic acid-2-(2-nitrophenylsulfenyl)tryptophan methyl ester
Computed Properties
Molecular Weight:529.6
XLogP3:2.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:13
Exact Mass:529.19950490
Monoisotopic Mass:529.19950490
Topological Polar Surface Area:204
Heavy Atom Count:37
Complexity:770
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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