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CHEBI:41424 - 5-((3S)-3-[(4R)-4-acetylamino-4-carboxybutyrylamino]-3-{(1R)-1-[(1R)-1-carboxyethylcarbamoyl]ethylcarbamoyl}propyl)-2-(carboxyphenylacetylaminomethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

ChEBI IDCHEBI:41424
ChEBI Name5-((3S)-3-[(4R)-4-acetylamino-4-carboxybutyrylamino]-3-{(1R)-1-[(1R)-1-carboxyethylcarbamoyl]ethylcarbamoyl}propyl)-2-(carboxyphenylacetylaminomethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Stars
ASCII Name5-((3S)-3-[(4R)-4-acetylamino-4-carboxybutyrylamino]-3-{(1R)-1-[(1R)-1-carboxyethylcarbamoyl]ethylcarbamoyl}propyl)-2-(carboxyphenylacetylaminomethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Last Modified1 November 2007
DownloadsMolfile
FormulaC32H42N6O13S
Net Charge0
Average Mass750.784
Monoisotopic Mass750.25306
SMILES[H]OC(=O)C1=C(C([H])([H])C([H])([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)O[H])C([H])([H])[H])C([H])([H])[H])N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(C(=O)O[H])N([H])C(=O)C([H])([H])[H])C([H])([H])S[C@]([H])([C@@]([H])(C(=O)O[H])N([H])C(=O)C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])N1[H]
InChIInChI=1S/C32H42N6O13S/c1-15(26(42)34-16(2)29(44)45)33-27(43)20(36-22(40)12-11-21(30(46)47)35-17(3)39)10-9-19-14-52-28(38-24(19)31(48)49)25(32(50)51)37-23(41)13-18-7-5-4-6-8-18/h4-8,15-16,20-21,25,28,38H,9-14H2,1-3H3,(H,33,43)(H,34,42)(H,35,39)(H,36,40)(H,37,41)(H,44,45)(H,46,47)(H,48,49)(H,50,51)/t15-,16-,20+,21-,25+,28-/m1/s1
InChIKeyPEUIVMLYMKXUBF-PULJXETJSA-N
ChEBI Ontology
Outgoing Relation(s)
5-((3S)-3-[(4R)-4-acetylamino-4-carboxybutyrylamino]-3-{(1R)-1-[(1R)-1-carboxyethylcarbamoyl]ethylcarbamoyl}propyl)-2-(carboxyphenylacetylaminomethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid (CHEBI:41424) is a 1,3-thiazine (CHEBI:46975)
5-((3S)-3-[(4R)-4-acetylamino-4-carboxybutyrylamino]-3-{(1R)-1-[(1R)-1-carboxyethylcarbamoyl]ethylcarbamoyl}propyl)-2-(carboxyphenylacetylaminomethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid (CHEBI:41424) is a thiazinemonocarboxylic acid (CHEBI:46978)
5-((3S)-3-[(4R)-4-acetylamino-4-carboxybutyrylamino]-3-{(1R)-1-[(1R)-1-carboxyethylcarbamoyl]ethylcarbamoyl}propyl)-2-(carboxyphenylacetylaminomethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid (CHEBI:41424) is a tripeptide (CHEBI:47923)
Synonym  Source
5-{3-(S)-(4-(R)-ACETYLAMINO-4-CARBOXY-BUTYRYLAMINO)-3-[1-(R)-(1-(R)-CARBOXY-ETHYLCARBAMOYL)-ETHYLCARBAMOYL]-PROPYL}-2-(CARBOXY-PHENYLACETYLAMINO-METHYL)-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACIDPDBeChem
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