methyl (2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate
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![methyl (2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c08f1a49ba8647879c5f116d43b9907b.png "methyl (2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate")
methyl (2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate
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CAS No:
121864-76-4
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Formula:
C23H27N5O5S
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Chemical Name:
methyl (2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate
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Synonyms:
H-Orn-Trp(Nps)-OMe;H-ornithyl-2-(2-nitrophenylsulfenyl)tryptophan methyl ester;121864-76-4;H-Orn-trp(nps)-ome;H-Ornithyl-2-(2-nitrophenylsulfenyl)tryptophan methyl ester;DTXSID70923994;A808118;L-Tryptophan, 1-((2-nitrophenyl)thio)-N-L-ornithyl-, methyl ester;(2S)-2-[[(2S)-2,5-diamino-1-oxopentyl]amino]-3-[1-[(2-nitrophenyl)thio]-3-indolyl]propanoic acid methyl ester;2,5-Diamino-N-(1-methoxy-3-{1-[(2-nitrophenyl)sulfanyl]-1H-indol-3-yl}-1-oxopropan-2-yl)pentanimidic acid;methyl (2S)-2-[[(2S)-2,5-bis(azanyl)pentanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate
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CAS No:
methyl (2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate Basic Attributes
485.6 g/mol
485.17329015 g/mol
Computed Properties
Molecular Weight:485.6
XLogP3:2.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:11
Exact Mass:485.17329015
Monoisotopic Mass:485.17329015
Topological Polar Surface Area:184
Heavy Atom Count:34
Complexity:708
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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