(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-48-{[2-O-(3-ammonio-2,3,6-trideoxy-3-methyl-α-L-arabino-hexopyranosyl)-β-D-glucopyranosyl]oxy}-2-[(3-ammonio-2,3,6-trideoxy-3-methyl-alph a-L-arabino-hexopyranosyl)oxy]-5,15-dichloro-18,32,35,37-tetrahydroxy-19-{[(2R)-4-methyl-2-(methylammonio)pentanoyl]amino}-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2 ^3,6.2^14,17.1^8,12.1^29,33.0^10,25.0^34,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylate

More details:

• Systematic name

  (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-48-{[2-O-(3-ammonio-2,3,6-trideoxy-3-methyl-alpha-L-arabino-hexopyranosyl)-beta-D-glucopyranosyl]oxy}-2-[(3-ammonio-2,3,6-trideoxy-3-methyl-alph a-L-arabino-hexopyranosyl)oxy]-5,15-dichloro-18,32,35,37-tetrahydroxy-19-{[(2R)-4-methyl-2-(methylammonio)pentanoyl]amino}-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2 ~3,6~.2~14,17~.1~8,12~.1~29,33~.0~10,25~.0~34,39~]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylate

• SMILES

  C[C@H]1[C@@H]([C@@](C[C@@H](O1)O[C@@H]2c3ccc(c(c3)Cl)Oc4cc5cc(c4O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7C[C@]([C@H]([C@@H](O7)C)O)(C)[NH3+])Oc8ccc(cc8Cl)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]9c1ccc(c(c1)-c1c(cc(cc1O)O)[C@H](NC(=O)[C@H]2NC9=O)C(=O)[O-])O)CC(=O)N)NC(=O)[C@@H](CC(C)C)[NH2+]C)O)(C)[NH3+])O

• Std. InChi

  InChI=1S/C73H88Cl2N10O26/c1-26(2)14-38(79-7)64(96)84-54-56(91)30-9-12-42(36(74)16-30)106-44-18-32-19-45(60(44)111-71-61(58(93)57(92)46(25-86)108-71)110-49-24-73(6,78)63(95)28(4)105-49)107-43-13-10-31(17-37(43)75)59(109-48-23-72(5,77)62(94)27(3)104-48)55-69(101)83-53(70(102)103)35-20-33(87)21-41(89)50(35)34-15-29(8-11-40(34)88)51(66(98)85-55)82-67(99)52(32)81-65(97)39(22-47(76)90)80-68(54)100/h8-13,15-21,26-28,38-39,46,48-49,51-59,61-63,71,79,86-89,91-95H,14,22-25,77-78H2,1-7H3,(H2,76,90)(H,80,100)(H,81,97)(H,82,99)(H,83,101)(H,84,96)(H,85,98)(H,102,103)/p+2/t27-,28-,38+,39-,46+,48-,49-,51+,52+,53-,54+,55-,56+,57+,58-,59+,61+,62-,63-,71-,72-,73-/m0/s1

• Std. InChIKey

  XJHXLMVKYIVZTE-LOALFDMRSA-P

• Cite this record

  CSID:34999714, http://www.chemspider.com/Chemical-Structure.34999714.html (accessed 22:18, Apr 19, 2024)