Products 73957-87-6

CAS 73957-87-6 is the registry number for beta-Avoparcin. Offered by: Chemat Brand. Available pack sizes: on request.

beta-Avoparcin
Chemat Brand
  • size: on request
  • Variants: 1
View product
Structural formula: {0} (CAS {1})

(1S,18R,19R,22S,25R,28R,40R)-4-[(2S,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-48-[(2S,3R,4S,5S,6R)-3-[(2S,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-49-chloro-22-(3-chloro-4-hydroxyphenyl)-32,35,37-trihydroxy-19-[[(2S)-2-(methylamino)-2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]acetyl]amino]-20,23,26,42,44-pentaoxo-18-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3(50),4,6(49),8,10,12(48),14(47),15,17(46),29(45),30,32,34(39),35,37-pentadecaene-40-carboxylic acid (CAS 73957-87-6) is a chemical compound with the molecular formula C89H101Cl2N9O36 and a molecular weight of 1943.7 g/mol. IUPAC name: (1S,18R,19R,22S,25R,28R,40R)-4-[(2S,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-48-[(2S,3R,4S,5S,6R)-3-[(2S,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-49-chloro-22-(3-chloro-4-hydroxyphenyl)-32,35,37-trihydroxy-19-[[(2S)-2-(methylamino)-2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]acetyl]amino]-20,23,26,42,44-pentaoxo-18-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3(50),4,6(49),8,10,12(48),14(47),15,17(46),29(45),30,32,34(39),35,37-pentadecaene-40-carboxylic acid. InChIKey: CASDGWYZIKZSQE-ZUWMJMDKSA-N.

Identity
Molecular formulaC89H101Cl2N9O36
Molecular weight1943.7 g/mol
IUPAC name(1S,18R,19R,22S,25R,28R,40R)-4-[(2S,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-48-[(2S,3R,4S,5S,6R)-3-[(2S,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-49-chloro-22-(3-chloro-4-hydroxyphenyl)-32,35,37-trihydroxy-19-[[(2S)-2-(methylamino)-2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]acetyl]amino]-20,23,26,42,44-pentaoxo-18-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3(50),4,6(49),8,10,12(48),14(47),15,17(46),29(45),30,32,34(39),35,37-pentadecaene-40-carboxylic acid
InChIKeyCASDGWYZIKZSQE-ZUWMJMDKSA-N
SMILESC[C@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C[C@H]7C(=O)N[C@H](C8=C(C(=CC(=C8)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N7)NC(=O)[C@@H]5NC(=O)[C@@H](NC(=O)[C@@H]([C@@H](C1=CC=C(O4)C=C1)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)NC(=O)[C@H](C1=CC=C(C=C1)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)NC)C1=CC(=C(C=C1)O)Cl)O)C(=O)O)C(=C6)O[C@H]1C[C@H]([C@H]([C@@H](O1)C)O)N)Cl)CO)O)O)N)O

Computed by PubChem (NCBI)

Synonyms: Avoparcin-beta, beta-Avoparcin, Avoparcin beta, .BETA.-AVOPARCIN, AVOPARCIN-.BETA., Avoparcin alpha, 49-chloro-, .BETA.-AVOPARCIN [MI]