(1E,2S,3S,4R)-2-[(E)-[(2R,3R,4S)-4-[(E)-[(2S)-2-[(E)-[(2R,3R,4R)-1,3-dihydroxy-2,4,6-trimethyl-heptylidene]amino]-1,4-dihydroxy-4-imino-butylidene]amino]-7-guanidino-1,2,3-trihydroxy-heptylidene]amino]-N-[(3R,4E,6S,7E,9S,12S,13E,15R,16E,18R,19E,21R,22R,25S)-15-(3-guanidinopropyl)-5,8,14,17,20-pentahydroxy-18-[(1R)-1-hydroxyethyl]-3-(2-hydroxy-2-imino-ethyl)-9-(3-hydroxy-3-imino-propyl)-6-[(R)-(4-hydroxyphenyl)-methoxy-methyl]-12-isobutyl-10,22-dimethyl-2,11,24-trioxo-23-oxa-1,4,7,10,13,16,19-heptazabicyclo[23.4.0]nonacosa-4,7,13,16,19-pentaen-21-yl]-3,4-dimethyl-pentanediimidic acid

More details:

• Systematic name

  (1E,2S,3S,4R)-2-[(E)-[(2R,3R,4S)-4-[(E)-[(2S)-2-[(E)-[(2R,3R,4R)-1,3-dihydroxy-2,4,6-trimethyl-heptylidene]amino]-1,4-dihydroxy-4-imino-butylidene]amino]-7-guanidino-1,2,3-trihydroxy-heptylidene]amino]-N-[(3R,4E,6S,7E,9S,12S,13E,15R,16E,18R,19E,21R,22R,25S)-15-(3-guanidinopropyl)-5,8,14,17,20-pentahydroxy-18-[(1R)-1-hydroxyethyl]-3-(2-hydroxy-2-imino-ethyl)-9-(3-hydroxy-3-imino-propyl)-6-[(R)-(4-hydroxyphenyl)-methoxy-methyl]-12-isobutyl-10,22-dimethyl-2,11,24-trioxo-23-oxa-1,4,7,10,13,16,19-heptazabicyclo[23.4.0]nonacosa-4,7,13,16,19-pentaen-21-yl]-3,4-dimethyl-pentanediimidic acid

• SMILES

  C[C@@H]1[C@H](/C(=N\[C@@H](/C(=N\[C@@H](/C(=N\[C@H](C(=O)N([C@H](/C(=N\[C@H](/C(=N\[C@@H](C(=O)N2CCCC[C@H]2C(=O)O1)CC(=N)O)/O)[C@@H](c3ccc(cc3)O)OC)/O)CCC(=N)O)C)CC(C)C)/O)CCCNC(=N)N)/O)[C@@H](C)O)/O)/N=C(\[C@H]([C@@H](C)[C@@H](C)C(=N)O)/N=C(\[C@@H]([C@@H]([C@H](CCCNC(=N)N)/N=C(\[C@H](CC(=N)O)/N=C(\[C@H](C)[C@@H]([C@H](C)CC(C)C)O)/O)/O)O)O)/O)/O

• Std. InChi

  InChI=1S/C75H125N21O23/c1-33(2)29-35(5)57(102)38(8)62(106)88-45(31-51(77)100)64(108)86-43(17-15-26-84-74(80)81)58(103)59(104)70(114)91-53(36(6)37(7)61(79)105)66(110)93-55-40(10)119-73(117)49-19-13-14-28-96(49)72(116)47(32-52(78)101)90-69(113)56(60(118-12)41-20-22-42(98)23-21-41)94-65(109)48(24-25-50(76)99)95(11)71(115)46(30-34(3)4)89-63(107)44(18-16-27-85-75(82)83)87-67(111)54(39(9)97)92-68(55)112/h20-23,33-40,43-49,53-60,97-98,102-104H,13-19,24-32H2,1-12H3,(H2,76,99)(H2,77,100)(H2,78,101)(H2,79,105)(H,86,108)(H,87,111)(H,88,106)(H,89,107)(H,90,113)(H,91,114)(H,92,112)(H,93,110)(H,94,109)(H4,80,81,84)(H4,82,83,85)/t35-,36+,37-,38-,39-,40-,43+,44-,45+,46+,47-,48+,49+,53+,54-,55-,56+,57-,58-,59-,60-/m1/s1

• Std. InChIKey

  MFLVVHMXLFFREB-WULOGODSSA-N

• Cite this record

  CSID:21431291, http://www.chemspider.com/Chemical-Structure.21431291.html (accessed 20:37, May 20, 2024)