(2S)-1-[(2S)-2-[[1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
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![(2S)-1-[(2S)-2-[[1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ad4b9690e0fe4033ac64f96de6aa785c.png "(2S)-1-[(2S)-2-[[1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid")
(2S)-1-[(2S)-2-[[1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
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CAS No:
104531-07-9
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Formula:
C17H21IN2O6
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Chemical Name:
(2S)-1-[(2S)-2-[[1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
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Synonyms:
CPAP-E;N-(1(S)-carboxy-(4-hydroxy-3-iodophenyl)ethyl)-alanylproline;N-(1(S)-carboxy-(4-OH-3-(125)iodopheny)ethyl)-Ala-Pro;N-(1(S)-carboxy-(4-OH-3-iodophenyl)ethyl)-Ala-Pro;Cpap-E;104531-07-9;N-(1(S)-Carboxy-(4-OH-3-iodophenyl)ethyl)-ala-pro;SCHEMBL7279471;DTXSID10909030;N-(1(S)-Carboxy-(4-OH-3-(125)iodopheny)ethyl)-ala-pro;N-(1(S)-Carboxy-(4-hydroxy-3-iodophenyl)ethyl)-alanylproline;N-[1-Carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]alanylproline
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CAS No:
(2S)-1-[(2S)-2-[[1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid Basic Attributes
476.3 g/mol
476.04443 g/mol
Computed Properties
Molecular Weight:476.3
XLogP3:-0.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:476.04443
Monoisotopic Mass:476.04443
Topological Polar Surface Area:127
Heavy Atom Count:26
Complexity:545
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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