(2S)-6-Amino-2-({[(1S,2R,18R,19R,22S,25R,28R,40S)-19-amino-22-(2-amino-2-oxoethyl)-48-{[(2S,3R,4S,5S,6R)-3-{[(2S,4S,5S,6S)-4-{[3-(3-buten-1-yloxy)benzyl]amino}-5-hydroxy-4,6-dimethyltetrahydro-2H-pyra n-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-5,15-dichloro-2,18,32,35,37-pentahydroxy-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2^3,6.2^{1 4,17}.1^8,12.1^29,33.0^10,25.0^34,39]pen

More details:

• Systematic name

  (2S)-6-Amino-2-({[(1S,2R,18R,19R,22S,25R,28R,40S)-19-amino-22-(2-amino-2-oxoethyl)-48-{[(2S,3R,4S,5S,6R)-3-{[(2S,4S,5S,6S)-4-{[3-(3-buten-1-yloxy)benzyl]amino}-5-hydroxy-4,6-dimethyltetrahydro-2H-pyra n-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-5,15-dichloro-2,18,32,35,37-pentahydroxy-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2~3,6~.2~1 4,17~.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-pentadecaen-40-yl]carbonyl}amino)hexanoic acid

• SMILES

  C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3c4cc5cc3Oc6ccc(cc6Cl)[C@H]([C@H]7C(=O)N[C@@H](c8cc(cc(c8-c9cc(ccc9O)[C@H](C(=O)N7)NC(=O)[C@@H]5NC(=O)[C@@H](NC(=O)[C@@H]([C@@H](c1ccc(c(c1)Cl)O4)O)N)CC(=O)N)O)O)C(=O)N[C@@H](CCCCN)C(=O)O)O)CO)O)O)(C)NCc1cccc(c1)OCCC=C)O

• Std. InChi

  InChI=1S/C76H86Cl2N10O25/c1-4-5-19-107-39-10-8-9-33(20-39)30-82-76(3)29-54(108-32(2)67(76)98)112-66-64(97)63(96)52(31-89)111-75(66)113-65-50-24-37-25-51(65)110-49-17-14-36(23-43(49)78)62(95)60-73(104)87-59(72(103)83-44(74(105)106)11-6-7-18-79)41-26-38(90)27-47(92)55(41)40-21-34(12-15-46(40)91)57(70(101)88-60)86-71(102)58(37)85-68(99)45(28-53(80)93)84-69(100)56(81)61(94)35-13-16-48(109-50)42(77)22-35/h4,8-10,12-17,20-27,32,44-45,52,54,56-64,66-67,75,82,89-92,94-98H,1,5-7,11,18-19,28-31,79,81H2,2-3H3,(H2,80,93)(H,83,103)(H,84,100)(H,85,99)(H,86,102)(H,87,104)(H,88,101)(H,105,106)/t32-,44-,45-,52+,54-,56+,57+,58+,59-,60-,61+,62+,63+,64-,66+,67+,75-,76-/m0/s1

• Std. InChIKey

  FLTROJZRJFFEIF-BLZHSZAASA-N

• Cite this record

  CSID:17307755, http://www.chemspider.com/Chemical-Structure.17307755.html (accessed 06:00, Jun 27, 2024)