Bicyclic UK18

cas: 1393680-45-9 — see every product listed under this CAS number, including other names

Bicyclic UK18 (CAS 1393680-45-9) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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Structural formula: {0} (CAS {1})

3-[(7R,10S,13S,19S,25S,28R,31S,34S,37S,40S,43S,46S,49R)-49-[[(2S)-2-aminopropanoyl]amino]-19,25,43-tris(3-carbamimidamidopropyl)-31-(carboxymethyl)-7-(carboxymethylcarbamoyl)-13,46-bis(hydroxymethyl)-40-[(4-hydroxyphenyl)methyl]-10-methyl-9,12,15,18,21,24,27,30,33,36,39,42,45,48-tetradecaoxo-34-propan-2-yl-5,51,56-trithia-8,11,14,17,20,23,26,29,32,35,38,41,44,47-tetradecazatricyclo[26.26.3.13,53]octapentaconta-1(54),2,53(58)-trien-37-yl]propanoic acid (CAS 1393680-45-9) is a chemical compound with the molecular formula C77H118N26O25S3 and a molecular weight of 1904.1 g/mol. IUPAC name: 3-[(7R,10S,13S,19S,25S,28R,31S,34S,37S,40S,43S,46S,49R)-49-[[(2S)-2-aminopropanoyl]amino]-19,25,43-tris(3-carbamimidamidopropyl)-31-(carboxymethyl)-7-(carboxymethylcarbamoyl)-13,46-bis(hydroxymethyl)-40-[(4-hydroxyphenyl)methyl]-10-methyl-9,12,15,18,21,24,27,30,33,36,39,42,45,48-tetradecaoxo-34-propan-2-yl-5,51,56-trithia-8,11,14,17,20,23,26,29,32,35,38,41,44,47-tetradecazatricyclo[26.26.3.13,53]octapentaconta-1(54),2,53(58)-trien-37-yl]propanoic acid. InChIKey: KYNBQUMODKZUIJ-UDZSBARMSA-N.

Identity
Molecular formulaC77H118N26O25S3
Molecular weight1904.1 g/mol
IUPAC name3-[(7R,10S,13S,19S,25S,28R,31S,34S,37S,40S,43S,46S,49R)-49-[[(2S)-2-aminopropanoyl]amino]-19,25,43-tris(3-carbamimidamidopropyl)-31-(carboxymethyl)-7-(carboxymethylcarbamoyl)-13,46-bis(hydroxymethyl)-40-[(4-hydroxyphenyl)methyl]-10-methyl-9,12,15,18,21,24,27,30,33,36,39,42,45,48-tetradecaoxo-34-propan-2-yl-5,51,56-trithia-8,11,14,17,20,23,26,29,32,35,38,41,44,47-tetradecazatricyclo[26.26.3.13,53]octapentaconta-1(54),2,53(58)-trien-37-yl]propanoic acid
InChIKeyKYNBQUMODKZUIJ-UDZSBARMSA-N
SMILESC[C@H]1C(=O)N[C@@H](CSCC2=CC3=CC(=C2)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSC3)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1)CO)CCCNC(=N)N)CCCNC(=N)N)CC(=O)O)C(C)C)CCC(=O)O)CC4=CC=C(C=C4)O)CCCNC(=N)N)CO)NC(=O)[C@H](C)N)C(=O)NCC(=O)O

Computed by PubChem (NCBI)

Synonyms: Bicyclic UK18, orb2942840

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