2-[[(2S)-2-amino-1-[(2S)-1,2-diamino-4-methylpent-3-enoxy]-3-(4-hydroxyphenyl)propyl]amino]-N-[2-oxo-2-[[(2S)-3-oxo-1-phenyl-4-sulfanylidenebutan-2-yl]amino]ethyl]acetamide
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![2-[[(2S)-2-amino-1-[(2S)-1,2-diamino-4-methylpent-3-enoxy]-3-(4-hydroxyphenyl)propyl]amino]-N-[2-oxo-2-[[(2S)-3-oxo-1-phenyl-4-sulfanylidenebutan-2-yl]amino]ethyl]acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6307bedf82a14f0b9eafd4f9907f7ae5.png "2-[[(2S)-2-amino-1-[(2S)-1,2-diamino-4-methylpent-3-enoxy]-3-(4-hydroxyphenyl)propyl]amino]-N-[2-oxo-2-[[(2S)-3-oxo-1-phenyl-4-sulfanylidenebutan-2-yl]amino]ethyl]acetamide")
2-[[(2S)-2-amino-1-[(2S)-1,2-diamino-4-methylpent-3-enoxy]-3-(4-hydroxyphenyl)propyl]amino]-N-[2-oxo-2-[[(2S)-3-oxo-1-phenyl-4-sulfanylidenebutan-2-yl]amino]ethyl]acetamide
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CAS No:
93674-87-4
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Formula:
C29H40N6O5S
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Chemical Name:
2-[[(2S)-2-amino-1-[(2S)-1,2-diamino-4-methylpent-3-enoxy]-3-(4-hydroxyphenyl)propyl]amino]-N-[2-oxo-2-[[(2S)-3-oxo-1-phenyl-4-sulfanylidenebutan-2-yl]amino]ethyl]acetamide
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Synonyms:
93674-87-4;DTXSID40918231;L-Leucinamide, L-tyrosylglycylglycyl-L-phenylalanyl-N-methylthio-;2-({2-Amino-1-[(1,2-diamino-4-methylpent-3-en-1-yl)oxy]-3-(4-hydroxyphenyl)propyl}amino)-N-{2-hydroxy-2-[(3-oxo-1-phenyl-4-sulfanylidenebutan-2-yl)imino]ethyl}ethanimidic acid
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CAS No:
2-[[(2S)-2-amino-1-[(2S)-1,2-diamino-4-methylpent-3-enoxy]-3-(4-hydroxyphenyl)propyl]amino]-N-[2-oxo-2-[[(2S)-3-oxo-1-phenyl-4-sulfanylidenebutan-2-yl]amino]ethyl]acetamide Basic Attributes
584.7 g/mol
584.27808957 g/mol
Computed Properties
Molecular Weight:584.7
XLogP3:1
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:17
Exact Mass:584.27808957
Monoisotopic Mass:584.27808957
Topological Polar Surface Area:227
Heavy Atom Count:41
Complexity:872
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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