2-[2-[[1-carboxy-5-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]pentyl]amino]-2-oxoethyl]-2-hydroxy-4-[[(2S)-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]-1-methoxy-1-oxohexan-2-yl]amino]-4-oxobutanoic acid
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![2-[2-[[1-carboxy-5-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]pentyl]amino]-2-oxoethyl]-2-hydroxy-4-[[(2S)-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]-1-methoxy-1-oxohexan-2-yl]amino]-4-oxobutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/00bcca08247a49fcacda77a584a92654.png "2-[2-[[1-carboxy-5-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]pentyl]amino]-2-oxoethyl]-2-hydroxy-4-[[(2S)-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]-1-methoxy-1-oxohexan-2-yl]amino]-4-oxobutanoic acid")
2-[2-[[1-carboxy-5-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]pentyl]amino]-2-oxoethyl]-2-hydroxy-4-[[(2S)-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]-1-methoxy-1-oxohexan-2-yl]amino]-4-oxobutanoic acid
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CAS No:
133705-27-8
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Formula:
C37H46N4O13
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Chemical Name:
2-[2-[[1-carboxy-5-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]pentyl]amino]-2-oxoethyl]-2-hydroxy-4-[[(2S)-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]-1-methoxy-1-oxohexan-2-yl]amino]-4-oxobutanoic acid
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Synonyms:
L-Lysine,N2-(3-carboxy-5-((1-carboxy-5-(hydroxy(1-oxo-3-phenyl-2-propenyl)amino)pentyl)amino)-3-hydroxy-1,5-dioxopentyl)-N6-hydroxy-N6-(1-oxo-3-phenyl-2-propenyl)-,1-methyl ester; 2-hydroxy-2-[2-[[1-hydroxy-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]-4-[[(2S)-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]-1-methoxy-1-oxohexan-2-yl]amino]-4-oxobutanoic acid; Nannochelin B;
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CAS No:
2-[2-[[1-carboxy-5-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]pentyl]amino]-2-oxoethyl]-2-hydroxy-4-[[(2S)-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]-1-methoxy-1-oxohexan-2-yl]amino]-4-oxobutanoic acid Basic Attributes
754.78000
754.30613753
Computed Properties
Molecular Weight:754.8
XLogP3:1.4
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:24
Exact Mass:754.30613753
Monoisotopic Mass:754.30613753
Topological Polar Surface Area:260
Heavy Atom Count:54
Complexity:1330
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Latest News on 2-[2-[[1-carboxy-5-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]pentyl]amino]-2-oxoethyl]-2-hydroxy-4-[[(2S)-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]-1-methoxy-1-oxohexan-2-yl]amino]-4-oxobutanoic acid
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