(2R,18R,19R,22S,25R,40S)-22-(2-Amino-2-oxoethyl)-2-[(3-amino-2,3,6-trideoxy-3-methylhexopyranosyl)oxy]-5,15-dichloro-19-[(N,N-dimethyl-D-leucyl)amino]-48-(hexopyranosyloxy)-18,32,35,37-tetrahydroxy-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 -carboxylic acid

More details:

• Systematic name

  (2R,18R,19R,22S,25R,40S)-22-(2-Amino-2-oxoethyl)-2-[(3-amino-2,3,6-trideoxy-3-methylhexopyranosyl)oxy]-5,15-dichloro-19-[(N,N-dimethyl-D-leucyl)amino]-48-(hexopyranosyloxy)-18,32,35,37-tetrahydroxy-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 -carboxylic acid

• SMILES

  CC(C)C[C@H](C(=O)N[C@@H]1[C@H](O)C2C=CC(OC3=CC4=CC(OC5C=CC(=CC=5Cl)[C@@H](OC5CC(C)(N)C(O)C(C)O5)C5NC(=O)C(NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)C1C=CC(O)=C(C=1)C1=C(O)C=C(O)C=C1[C@H](NC5=O)C(O)=O)=C3OC1OC(CO)C(O)C(O)C1O)=C(Cl)C=2)N(C)C

• Std. InChi

  InChI=1S/C67H77Cl2N9O24/c1-24(2)13-36(78(5)6)60(90)76-50-52(84)27-8-11-39(33(68)15-27)98-41-17-29-18-42(57(41)102-66-55(87)54(86)53(85)43(23-79)100-66)99-40-12-9-28(16-34(40)69)56(101-45-22-67(4,71)58(88)25(3)97-45)51-64(94)75-49(65(95)96)32-19-30(80)20-38(82)46(32)31-14-26(7-10-37(31)81)47(61(91)77-51)74-62(92)48(29)73-59(89)35(21-44(70)83)72-63(50)93/h7-12,14-20,24-25,35-36,43,45,47-56,58,66,79-82,84-88H,13,21-23,71H2,1-6H3,(H2,70,83)(H,72,93)(H,73,89)(H,74,92)(H,75,94)(H,76,90)(H,77,91)(H,95,96)/t25?,35-,36+,43?,45?,47?,48+,49-,50+,51?,52+,53?,54?,55?,56+,58?,66?,67?/m0/s1

• Std. InChIKey

  HAKVEOXLVAZZAL-YAZNNGBZSA-N

• Cite this record

  CSID:78445194, http://www.chemspider.com/Chemical-Structure.78445194.html (accessed 06:11, Jun 6, 2024)