Daptomycin-d5

cas: 1356579-56-0 — see every product listed under this CAS number, including other names

Daptomycin-d5 (CAS 1356579-56-0) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULPD122015
cas1356579-56-0
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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categoryChemicals
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(3S)-3-[[(2S)-4-amino-2-[[(2S)-2-(decanoylamino)-3-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]amino]-4-oxobutanoic acid (CAS 1356579-56-0) is a chemical compound with the molecular formula C72H101N17O26 and a molecular weight of 1625.7 g/mol. IUPAC name: (3S)-3-[[(2S)-4-amino-2-[[(2S)-2-(decanoylamino)-3-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]amino]-4-oxobutanoic acid. InChIKey: DOAKLVKFURWEDJ-WJGQFOGUSA-N.

Identity
Molecular formulaC72H101N17O26
Molecular weight1625.7 g/mol
IUPAC name(3S)-3-[[(2S)-4-amino-2-[[(2S)-2-(decanoylamino)-3-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]amino]-4-oxobutanoic acid
InChIKeyDOAKLVKFURWEDJ-WJGQFOGUSA-N
SMILES[2H]C1=C(C(=C2C(=C1[2H])C(=C(N2)[2H])C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)[C@H](C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C)NC(=O)CCCCCCCCC)[2H])[2H]

Computed by PubChem (NCBI)

Synonyms: (d5 major; contains D0), Daptomycin-d5 Trifluoroacetic Acid Salt, Technical Grade, Daptomycin-D5 Trifluoroacetate Salt
Related forms of this compound
(3S)-3-[[(2R)-4-amino-2-[[(2S)-2-(decanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]amino]-4-oxobutanoic acid C72H101N17O26
Isomers (same molecular formula)
(3S,6S,9R,16S,19R,22S,25S,31S,32R)-31-[[(2S)-2-[[(2R)-4-amino-2-[[(2S)-2-(decanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]-3-[2-(2-aminophenyl)-2-oxoethyl]-25-(3-aminopropyl)-22-(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-19,32-dimethyl-2,5,8,11,14,18,21,24,27,30-decaoxo-1-oxa-4,7,10,13,17,20,23,26,29-nonazacyclodotriacontane-16-carboxylic acid C72H101N17O26

Also listed as

Daptomycin-D5 Trifluoroacetate salt Chemat Brand CAS 1356579-56-0 free base