2-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-phenylbutanoic acid
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![2-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-phenylbutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a15926bad56845dc9139350d1a0d8137.png "2-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-phenylbutanoic acid")
2-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-phenylbutanoic acid
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CAS No:
76400-07-2
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Formula:
C27H33N3O5
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Chemical Name:
2-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-phenylbutanoic acid
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Synonyms:
1-CLT;N-(1-carboxy-3-phenylpropyl)-L-leucyl-L-tryptophan;N-(1-carboxy-3-phenylpropyl)leucyltryptophan;76400-07-2;1-CLT;DTXSID70997776;N-(1-Carboxy-3-phenylpropyl)leucyltryptophan;L-Tryptophan, N-(N-(1-carboxy-3-phenylpropyl)-L-leucyl)-;N-{2-[(1-Carboxy-3-phenylpropyl)amino]-1-hydroxy-3-methylpentylidene}tryptophan;2-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-phenylbutanoic acid
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CAS No:
2-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-phenylbutanoic acid Basic Attributes
479.6 g/mol
479.24202116 g/mol
Computed Properties
Molecular Weight:479.6
XLogP3:1.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:13
Exact Mass:479.24202116
Monoisotopic Mass:479.24202116
Topological Polar Surface Area:132
Heavy Atom Count:35
Complexity:711
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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