(4S,7S,10S,13S,16S,19S,22S,25S,28S)-28-[(2-{[(2S)-2-Amino-1,4-dihydroxy-4-iminobutylidene]amino}-1-hydroxyethylidene)amino]-22-benzyl-10-(2-carboxyethyl)-6,9,12,15,18,21,24,27-octahydroxy-13-(4-hydrox ybenzyl)-19-(2-hydroxy-2-iminoethyl)-7-(3-hydroxy-3-iminopropyl)-25-(hydroxymethyl)-4-(hydroxy{[(2S)-4-methyl-1-oxo-1-(propylamino)-2-pentanyl]imino}methyl)-16-isobutyl-5,8,11,14,17,20,23,26-octaazahe ntriaconta-5,8,11,14,17,20,23,26-octaene-1,31-dioic acid

More details:

• Systematic name

  (4S,7S,10S,13S,16S,19S,22S,25S,28S)-28-[(2-{[(2S)-2-Amino-1,4-dihydroxy-4-iminobutylidene]amino}-1-hydroxyethylidene)amino]-22-benzyl-10-(2-carboxyethyl)-6,9,12,15,18,21,24,27-octahydroxy-13-(4-hydrox ybenzyl)-19-(2-hydroxy-2-iminoethyl)-7-(3-hydroxy-3-iminopropyl)-25-(hydroxymethyl)-4-(hydroxy{[(2S)-4-methyl-1-oxo-1-(propylamino)-2-pentanyl]imino}methyl)-16-isobutyl-5,8,11,14,17,20,23,26-octaazahe ntriaconta-5,8,11,14,17,20,23,26-octaene-1,31-dioic acid

• SMILES

  CCCNC(=O)[C@H](CC(C)C)N=C([C@H](CCC(=O)O)N=C([C@H](CCC(=N)O)N=C([C@H](CCC(=O)O)N=C([C@H](Cc1ccc(cc1)O)N=C([C@H](CC(C)C)N=C([C@H](CC(=N)O)N=C([C@H](Cc2ccccc2)N=C([C@H](CO)N=C([C@H](CCC(=O)O)N=C(CN=C([C@H](CC(=N)O)N)O)O)O)O)O)O)O)O)O)O)O

• Std. InChi

  InChI=1S/C66H98N16O23/c1-6-24-71-57(96)43(25-33(2)3)77-61(100)42(19-23-55(93)94)75-59(98)40(16-20-49(68)85)74-60(99)41(18-22-54(91)92)76-63(102)46(28-36-12-14-37(84)15-13-36)79-62(101)44(26-34(4)5)78-65(104)47(30-51(70)87)81-64(103)45(27-35-10-8-7-9-11-35)80-66(105)48(32-83)82-58(97)39(17-21-53(89)90)73-52(88)31-72-56(95)38(67)29-50(69)86/h7-15,33-34,38-48,83-84H,6,16-32,67H2,1-5H3,(H2,68,85)(H2,69,86)(H2,70,87)(H,71,96)(H,72,95)(H,73,88)(H,74,99)(H,75,98)(H,76,102)(H,77,100)(H,78,104)(H,79,101)(H,80,105)(H,81,103)(H,82,97)(H,89,90)(H,91,92)(H,93,94)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1

• Std. InChIKey

  MJCNNRCVKIPKIT-AIFXSXIMSA-N

• Cite this record

  CSID:57262393, http://www.chemspider.com/Chemical-Structure.57262393.html (accessed 02:35, Apr 30, 2024)