benzyl (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetyl]amino]acetyl]sulfanylamino]-3-phenylpropanoyl]amino]-4-methylpentanoate
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![benzyl (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetyl]amino]acetyl]sulfanylamino]-3-phenylpropanoyl]amino]-4-methylpentanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2ff0f3e5cdd24737a091de4477e86921.png "benzyl (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetyl]amino]acetyl]sulfanylamino]-3-phenylpropanoyl]amino]-4-methylpentanoate")
benzyl (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetyl]amino]acetyl]sulfanylamino]-3-phenylpropanoyl]amino]-4-methylpentanoate
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CAS No:
125482-08-8
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Formula:
C40H51N5O9S
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Chemical Name:
benzyl (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetyl]amino]acetyl]sulfanylamino]-3-phenylpropanoyl]amino]-4-methylpentanoate
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Synonyms:
Boc-TGGP-CSNH-LB;Boc-Tyr-Gly-Gly-Phe-psi(CSNH)Leu-O-Bzl;t-butyloxycarbonyltyrosyl-glycyl-glycyl-phenylalanyl-psi(thioamide)leucyl benzyl ester;125482-08-8;Boc-tggp-csnh-LB;DTXSID00925143;t-Butyloxycarbonyltyrosyl-glycyl-glycyl-phenylalanyl-psi(thioamide)leucyl benzyl ester;Boc-tyr-gly-gly-phe-psi(csnh)leu-O-bzl;benzyl (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetyl]amino]acetyl]sulfanylamino]-3-phenylpropanoyl]amino]-4-methylpentanoate;N-[7-Benzyl-6,13-dihydroxy-4-(2-methylpropyl)-3,10-dioxo-1-phenyl-2-oxa-9-thia-5,8,12-triazatetradeca-5,12-dien-14-yl]-2-{[tert-butoxy(hydroxy)methylidene]amino}-3-(4-hydroxyphenyl)propanimidic acid
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CAS No:
benzyl (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetyl]amino]acetyl]sulfanylamino]-3-phenylpropanoyl]amino]-4-methylpentanoate Basic Attributes
777.9 g/mol
777.34074939 g/mol
Computed Properties
Molecular Weight:777.9
XLogP3:5.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:23
Exact Mass:777.34074939
Monoisotopic Mass:777.34074939
Topological Polar Surface Area:227
Heavy Atom Count:55
Complexity:1240
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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