(2S)-2-amino-N-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-N-[2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]acetyl]-3-(3,4-dihydroxyphenyl)propanamide
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![(2S)-2-amino-N-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-N-[2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]acetyl]-3-(3,4-dihydroxyphenyl)propanamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8af9bde75077463889f2bf56d0ccfef9.png "(2S)-2-amino-N-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-N-[2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]acetyl]-3-(3,4-dihydroxyphenyl)propanamide")
(2S)-2-amino-N-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-N-[2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]acetyl]-3-(3,4-dihydroxyphenyl)propanamide
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CAS No:
122548-03-2
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Formula:
C27H28BrN7O5
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Chemical Name:
(2S)-2-amino-N-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-N-[2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]acetyl]-3-(3,4-dihydroxyphenyl)propanamide
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Synonyms:
Glycinamide,L-histidyl-3-hydroxy-L-tyrosyl-N-(2-(6-bromo-1H-indol-3-yl)ethenyl)-,(Z); Histidyl-6,7-dihydroxyphenylalanylglycyl-6-bromo-8,9-didehydrotryptamine;
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CAS No:
(2S)-2-amino-N-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-N-[2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]acetyl]-3-(3,4-dihydroxyphenyl)propanamide Basic Attributes
610.45900
609.13353
Computed Properties
Molecular Weight:610.5
XLogP3:1.9
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:10
Exact Mass:609.13353
Monoisotopic Mass:609.13353
Topological Polar Surface Area:203
Heavy Atom Count:40
Complexity:926
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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