2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
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![2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/18794252b1324fa786941719a46a3efe.png "2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid")
2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
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CAS No:
134406-64-7
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Formula:
C32H38N6O7
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Chemical Name:
2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
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Synonyms:
3-Trp-casomorphin;casomorphin, Trp(3)-;casomorphin, tryptophyl(3)-;Trp(3)-casomorphin;Tyr-Pro-Trp-Pro-Gly-OH;tyrosyl-prolyl-tryptophyl-prolyl-glycine-OH;Casomorphin, trp(3)-;134406-64-7;Trp(3)-casomorphin;Tyr-pro-trp-pro-gly-OH;Casomorphin, tryptophyl(3)-;3-Trp-casomorphin;Tyrosyl-prolyl-tryptophyl-prolyl-glycine-OH;H-Tyr-Pro-Trp-Pro-Gly-OH;DTXSID50158686;2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid;Glycine, N-(1-(N-(1-L-tyrosyl-L-prolyl)-L-tryptophyl)-L-prolyl)-
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CAS No:
2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid Basic Attributes
618.7 g/mol
618.28019757 g/mol
DTXSID50158686
Computed Properties
Molecular Weight:618.7
XLogP3:-1.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:11
Exact Mass:618.28019757
Monoisotopic Mass:618.28019757
Topological Polar Surface Area:198
Heavy Atom Count:45
Complexity:1100
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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