(2S)-4-amino-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxobutanoic acid
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![(2S)-4-amino-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxobutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9feefbfffad34d3eaf95d90c609f4b7b.png "(2S)-4-amino-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxobutanoic acid")
(2S)-4-amino-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxobutanoic acid
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CAS No:
129594-05-4
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Formula:
C33H42N6O9
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Chemical Name:
(2S)-4-amino-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxobutanoic acid
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Synonyms:
Boc-Trp-Orn(Z)-Asp-NH2;tert-butyloxycarbonyl-tryptophyl-benzyloxycarbonyl-ornithyl-aspartamide;129594-05-4;Boc-trp-orn(Z)-asp-NH2;DTXSID90926442;tert-Butyloxycarbonyl-tryptophyl-benzyloxycarbonyl-ornithyl-aspartamide;N-(5-{[(Benzyloxy)(hydroxy)methylidene]amino}-2-{[2-{[tert-butoxy(hydroxy)methylidene]amino}-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino}-1-hydroxypentylidene)-4-iminohomoserine
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CAS No:
(2S)-4-amino-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxobutanoic acid Basic Attributes
666.7 g/mol
666.30132694 g/mol
Computed Properties
Molecular Weight:666.7
XLogP3:2.2
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:19
Exact Mass:666.30132694
Monoisotopic Mass:666.30132694
Topological Polar Surface Area:231
Heavy Atom Count:48
Complexity:1120
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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