acetic acid;(2R)-N-[2-[[(2S)-1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-ethylamino]-2-oxoethyl]-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfinylbutanamide
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![acetic acid;(2R)-N-[2-[[(2S)-1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-ethylamino]-2-oxoethyl]-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfinylbutanamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5e9e0bc4e0dd4745820a62fa6b880556.png "acetic acid;(2R)-N-[2-[[(2S)-1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-ethylamino]-2-oxoethyl]-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfinylbutanamide")
acetic acid;(2R)-N-[2-[[(2S)-1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-ethylamino]-2-oxoethyl]-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfinylbutanamide
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CAS No:
98849-86-6
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Formula:
C31H44N6O9S
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Chemical Name:
acetic acid;(2R)-N-[2-[[(2S)-1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-ethylamino]-2-oxoethyl]-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfinylbutanamide
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Synonyms:
EK 399;EKk-399;Tyr-Met(O)-Gly-EtPhe-NHNHCOCH3;tyrosyl-methionyl(O)-glycyl-ethylphenylalanine-2-acetylhydrazide;98849-86-6;ek-399;EK 399;Ekk-399;Tyr-met(O)-gly-etphe-nhnhcoch3;DTXSID50913050;Tyrosyl-methionyl(O)-glycyl-ethylphenylalanine-2-acetylhydrazide;Acetic acid--2-{[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-N-[2-(ethyl{1-hydroxy-1-[(1-hydroxyethylidene)hydrazinylidene]-3-phenylpropan-2-yl}amino)-2-oxoethyl]-4-(methanesulfinyl)butani;L-Phenylalanine, L-tyrosyl-4-(methylsulfinyl)-D-2-aminobutanoylglycyl-N-ethyl-, 2-acetylhydrazide, monoacetate (salt)
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CAS No:
acetic acid;(2R)-N-[2-[[(2S)-1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-ethylamino]-2-oxoethyl]-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfinylbutanamide Basic Attributes
676.8 g/mol
676.28904818 g/mol
Computed Properties
Molecular Weight:676.8
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:15
Exact Mass:676.28904818
Monoisotopic Mass:676.28904818
Topological Polar Surface Area:257
Heavy Atom Count:47
Complexity:1000
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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