Gns 272

Structural Information

Molecular Formula

C₈₄H₁₀₉N₁₇O₁₈

SMILES

CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CC3=CN(C4=CC=CC=C34)NCCCC[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)CC5=CNC6=CC=CC=C65)CCC(=O)O)[C@@H](C)O)CC(C)C)CC7=CNC8=CC=CC=C87)NC(=O)[C@H]([C@@H](C)O)N)C(=O)O)[C@@H](C)O)CC9=CNC1=CC=CC=C19

InChI

InChI=1S/C84H109N17O18/c1-8-44(4)70-83(117)100-33-19-29-67(100)79(113)95-64(37-50-41-88-58-26-15-11-22-54(50)58)78(112)99-72(47(7)104)82(116)96-65(84(118)119)38-51-42-101(66-28-16-12-23-55(51)66)89-32-18-17-27-59(90-80(114)69(85)45(5)102)73(107)93-62(35-48-39-86-56-24-13-9-20-52(48)56)75(109)92-61(34-43(2)3)76(110)98-71(46(6)103)81(115)91-60(30-31-68(105)106)74(108)94-63(77(111)97-70)36-49-40-87-57-25-14-10-21-53(49)57/h9-16,20-26,28,39-47,59-65,67,69-72,86-89,102-104H,8,17-19,27,29-38,85H2,1-7H3,(H,90,114)(H,91,115)(H,92,109)(H,93,107)(H,94,108)(H,95,113)(H,96,116)(H,97,111)(H,98,110)(H,99,112)(H,105,106)(H,118,119)/t44-,45+,46+,47+,59-,60+,61-,62+,63+,64-,65+,67-,69-,70-,71-,72-/m0/s1

InChIKey

GCRYVQMWBBOOIA-FAPJSHPNSA-N

Compound name

(3R,6S,9S,12S,18S,21R,24R,27S,30S,33R,36S)-36-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-18-[(2S)-butan-2-yl]-24-(2-carboxyethyl)-6,27-bis[(1R)-1-hydroxyethyl]-9,21,33-tris(1H-indol-3-ylmethyl)-30-(2-methylpropyl)-5,8,11,17,20,23,26,29,32,35-decaoxo-4,7,10,16,19,22,25,28,31,34,41,42-dodecazatetracyclo[40.6.1.012,16.043,48]nonatetraconta-1(49),43,45,47-tetraene-3-carboxylic acid

Related CIDs

• CID 71597512