methyl (2S)-2-[[(2S)-2,6-diaminohexyl]amino]-3-[2-(2-nitrophenyl)sulfanyl-1H-indol-3-yl]propanoate
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![methyl (2S)-2-[[(2S)-2,6-diaminohexyl]amino]-3-[2-(2-nitrophenyl)sulfanyl-1H-indol-3-yl]propanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/bdaa5b0d589344c2a5d1adf6d7a80442.png "methyl (2S)-2-[[(2S)-2,6-diaminohexyl]amino]-3-[2-(2-nitrophenyl)sulfanyl-1H-indol-3-yl]propanoate")
methyl (2S)-2-[[(2S)-2,6-diaminohexyl]amino]-3-[2-(2-nitrophenyl)sulfanyl-1H-indol-3-yl]propanoate
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CAS No:
141365-20-0
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Formula:
C24H31N5O4S
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Chemical Name:
methyl (2S)-2-[[(2S)-2,6-diaminohexyl]amino]-3-[2-(2-nitrophenyl)sulfanyl-1H-indol-3-yl]propanoate
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Synonyms:
LTNAM;Lys-psi(CH2NH)-Trp(Nps)-OMe;lysyl-psi(CH2NH)-2-nitrophenylsulfenyltryptophyl methyl ester;lysyl-psi(methyleneamino)-((2-nitrophenyl)thio)tryptophyl methyl ester;Lys-psi(CH2NH)-trp(nps)-ome;141365-20-0;LTNAM;L-Tryptophan, N-(2,6-diaminohexyl)-2-((2-nitrophenyl)thio)-, methyl ester, (S)-;DTXSID00931082;Lysyl-psi(CH2NH)-2-nitrophenylsulfenyltryptophyl methyl ester;Lysyl-psi(methyleneamino)-((2-nitrophenyl)thio)tryptophyl methyl ester;methyl (2S)-2-[[(2S)-2,6-diaminohexyl]amino]-3-[2-(2-nitrophenyl)sulfanyl-1H-indol-3-yl]propanoate;Methyl N-(2,6-diaminohexyl)-2-[(2-nitrophenyl)sulfanyl]tryptophanate
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CAS No:
methyl (2S)-2-[[(2S)-2,6-diaminohexyl]amino]-3-[2-(2-nitrophenyl)sulfanyl-1H-indol-3-yl]propanoate Basic Attributes
485.6 g/mol
485.20967566 g/mol
Computed Properties
Molecular Weight:485.6
XLogP3:3.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:13
Exact Mass:485.20967566
Monoisotopic Mass:485.20967566
Topological Polar Surface Area:177
Heavy Atom Count:34
Complexity:651
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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