Oscillacyclamide a

Structural Information

Molecular Formula

C₈₇H₁₀₉N₂₁O₂₂S₃

SMILES

C[C@H]1C2=NC(=CS2)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NCC(=O)N[C@@H](C3=NC(=CS3)C(=O)N[C@@H](C(=O)N[C@@H](C4=NC(=CS4)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1)CC5=CC=C(C=C5)O)CCCCN)CC(=O)O)CC6=CNC7=CC=CC=C76)C(C)C)C(C)C)CC(=O)O)CC8=CNC9=CC=CC=C98)[C@H](C)OCC=C(C)C)CC(=O)N)CO

InChI

InChI=1S/C87H109N21O22S3/c1-41(2)24-26-130-45(8)72-84(129)101-57(29-48-34-91-53-18-12-10-16-51(48)53)74(119)93-36-67(113)96-60(32-69(116)117)86-104-64(39-132-86)82(127)106-70(42(3)4)83(128)107-71(43(5)6)87-105-63(40-133-87)80(125)99-56(28-47-33-90-52-17-11-9-15-50(47)52)73(118)92-35-66(112)95-59(31-68(114)115)77(122)97-54(19-13-14-25-88)75(120)98-55(27-46-20-22-49(110)23-21-46)76(121)94-44(7)85-103-62(38-131-85)81(126)102-61(37-109)79(124)100-58(30-65(89)111)78(123)108-72/h9-12,15-18,20-24,33-34,38-40,42-45,54-61,70-72,90-91,109-110H,13-14,19,25-32,35-37,88H2,1-8H3,(H2,89,111)(H,92,118)(H,93,119)(H,94,121)(H,95,112)(H,96,113)(H,97,122)(H,98,120)(H,99,125)(H,100,124)(H,101,129)(H,102,126)(H,106,127)(H,107,128)(H,108,123)(H,114,115)(H,116,117)/t44-,45-,54+,55+,56-,57+,58+,59+,60+,61+,70+,71+,72+/m0/s1

InChIKey

DECBPJPIDHVROG-LEKXQQIESA-N

Compound name

2-[(4R,7R,14S,20R,23R,26R,29S,36R,39R,42R,45R,51R)-23-(4-aminobutyl)-39-(2-amino-2-oxoethyl)-51-(carboxymethyl)-36-(hydroxymethyl)-26-[(4-hydroxyphenyl)methyl]-14,45-bis(1H-indol-3-ylmethyl)-29-methyl-42-[(1S)-1-(3-methylbut-2-enoxy)ethyl]-2,5,12,15,18,21,24,27,34,37,40,43,46,49-tetradecaoxo-4,7-di(propan-2-yl)-9,31,53-trithia-3,6,13,16,19,22,25,28,35,38,41,44,47,50,55,56,57-heptadecazatetracyclo[50.2.1.18,11.130,33]heptapentaconta-1(54),8(57),10,30(56),32,52(55)-hexaen-20-yl]acetic acid

Related CIDs

• CID 146683709