Lysocin E

More details:

• Systematic name

  3-[(3S,6S,9R,12R,15S,18R,21S,24R,30S,33R,36S,37R)-12-(3-Amino-3-oxopropyl)-24-benzyl-6-[(2S)-2-butanyl]-18,33-bis(3-carbamimidamidopropyl)-3-[(1R)-1-hydroxyethyl]-30-(hydroxymethyl)-36-{[(3R)-3-hydrox y-5-methylhexanoyl]amino}-9-(1H-indol-3-ylmethyl)-21-isobutyl-25,37-dimethyl-2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34-undecaazacycloheptatriacontan-15-yl]propano ic acid

• SMILES

  CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N([C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1)Cc2c[nH]c3c2cccc3)CCC(=O)N)CCC(=O)O)CCCNC(=N)N)CC(C)C)Cc4ccccc4)C)CO)CCCNC(=N)N)NC(=O)C[C@@H](CC(C)C)O)C)[C@@H](C)O

• Std. InChi

  InChI=1S/C75H116N20O20/c1-10-40(6)60-71(112)94-61(41(7)97)73(114)115-42(8)62(92-57(100)34-45(98)30-38(2)3)72(113)88-49(23-17-29-82-75(79)80)65(106)91-54(37-96)63(104)84-36-58(101)95(9)55(32-43-18-12-11-13-19-43)70(111)90-52(31-39(4)5)68(109)85-48(22-16-28-81-74(77)78)64(105)87-51(25-27-59(102)103)66(107)86-50(24-26-56(76)99)67(108)89-53(69(110)93-60)33-44-35-83-47-21-15-14-20-46(44)47/h11-15,18-21,35,38-42,45,48-55,60-62,83,96-98H,10,16-17,22-34,36-37H2,1-9H3,(H2,76,99)(H,84,104)(H,85,109)(H,86,107)(H,87,105)(H,88,113)(H,89,108)(H,90,111)(H,91,106)(H,92,100)(H,93,110)(H,94,112)(H,102,103)(H4,77,78,81)(H4,79,80,82)/t40-,41+,42+,45+,48+,49+,50+,51-,52-,53+,54-,55+,60-,61-,62-/m0/s1

• Std. InChIKey

  QJPVBLGWZKAQRW-BQBICWQZSA-N

• Cite this record

  CSID:32779464, http://www.chemspider.com/Chemical-Structure.32779464.html (accessed 17:38, Jun 1, 2024)