(2S)-1-[(2S,3S)-2-[[(2S,3S)-3-ethoxycarbonyloxirane-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
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![(2S)-1-[(2S,3S)-2-[[(2S,3S)-3-ethoxycarbonyloxirane-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ad56b19ad0a74182b6ccc782ee665396.png "(2S)-1-[(2S,3S)-2-[[(2S,3S)-3-ethoxycarbonyloxirane-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid")
(2S)-1-[(2S,3S)-2-[[(2S,3S)-3-ethoxycarbonyloxirane-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
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CAS No:
134447-97-5
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Formula:
C17H26N2O7
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Chemical Name:
(2S)-1-[(2S,3S)-2-[[(2S,3S)-3-ethoxycarbonyloxirane-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
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Synonyms:
(S)-1-((S)-2-(((2S,3S)-3-ethoxycarbonyl-oxiranecarbonyl)-amino)-3-methyl-pentanoyl)-pyrrolidine-2-carboxylic acid;CA 030;CA-030;EtO-(2S,3S)-tEps-Ile-Pro-OH;N-(3-ethoxycarbonyloxirane-2-carbonyl)-isoleucyl-proline;134447-97-5;CA-030;CA 030;EtO-tES-Ile-Pro-OH;epoxysuccinyl derivative CA030;SCHEMBL7328221;CHEMBL4533469;N-(3-Ethoxycarbonyloxirane-2-carbonyl)-isoleucyl-proline;BDBM16508;DTXSID50928624;N-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-proline;N-{[3-(Ethoxycarbonyl)oxiran-2-yl](hydroxy)methylidene}isoleucylproline;L-Proline, 1-(N-((3-(ethoxycarbonyl)oxiranyl)carbonyl)-L-isoleucyl)-, (2S-trans)-;(2S)-1-[(2S,3S)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]formamido}-3-methylpentanoyl]pyrrolidine-2-carboxylic acid;(S)-1-((S)-2-(((2S,3S)-3-ethoxycarbonyl-oxiranecarbonyl)-amino)-3-methyl-pentanoyl)-pyrrolidine-2-carboxylic acid
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CAS No:
(2S)-1-[(2S,3S)-2-[[(2S,3S)-3-ethoxycarbonyloxirane-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid Basic Attributes
370.4 g/mol
370.17400117 g/mol
Drug Information
(S)-1-((S)-2-(((2S,3S)-3-ethoxycarbonyl-oxiranecarbonyl)-amino)-3-methyl-pentanoyl)-pyrrolidine-2-carboxylic acid
Computed Properties
Molecular Weight:370.4
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:370.17400117
Monoisotopic Mass:370.17400117
Topological Polar Surface Area:126
Heavy Atom Count:26
Complexity:580
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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