(4S)-4-amino-5-[[(2R)-1-(2-carboxyethylamino)-3-[2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoethyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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![(4S)-4-amino-5-[[(2R)-1-(2-carboxyethylamino)-3-[2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoethyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b255d0341098493e9a43af62f3f353b8.png "(4S)-4-amino-5-[[(2R)-1-(2-carboxyethylamino)-3-[2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoethyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid")
(4S)-4-amino-5-[[(2R)-1-(2-carboxyethylamino)-3-[2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoethyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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CAS No:
103003-65-2
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Formula:
C25H38N4O8S
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Chemical Name:
(4S)-4-amino-5-[[(2R)-1-(2-carboxyethylamino)-3-[2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoethyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Synonyms:
103003-65-2;DTXSID60908159;13-Amino-10-{[(2-carboxyethyl)imino](hydroxy)methyl}-5-(2-ethyl-6-methylphenyl)-12-hydroxy-6-oxo-3-oxa-8-thia-5,11-diazahexadec-11-en-16-oic acid;beta-Alanine, N-(S-(2-((ethoxymethyl)(2-ethyl-6-methylphenyl)amino)-2- oxoethyl)-N-L-gamma-glutamyl-L-cysteinyl)-
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CAS No:
(4S)-4-amino-5-[[(2R)-1-(2-carboxyethylamino)-3-[2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoethyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Basic Attributes
554.7 g/mol
554.24103536 g/mol
Computed Properties
Molecular Weight:554.7
XLogP3:-1.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:18
Exact Mass:554.24103536
Monoisotopic Mass:554.24103536
Topological Polar Surface Area:214
Heavy Atom Count:38
Complexity:799
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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