Akkkgkckgplklvakc-nh2

Structural Information

Molecular Formula

C₈₀H₁₄₉N₂₅O₁₇S₂

SMILES

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)CC(C)C)CCCCN)CC(C)C)CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)C(=O)N)CCCCN

InChI

InChI=1S/C80H149N25O17S2/c1-46(2)40-58-76(118)99-57(30-15-22-38-87)74(116)100-59(41-47(3)4)77(119)104-65(48(5)6)80(122)92-50(8)68(110)95-55(28-13-20-36-85)75(117)102-60(66(89)108)44-123-124-45-61(78(120)97-52(25-10-17-33-82)70(112)91-43-64(107)105-39-23-31-62(105)79(121)101-58)103-71(113)53(26-11-18-34-83)93-63(106)42-90-69(111)51(24-9-16-32-81)96-73(115)56(29-14-21-37-86)98-72(114)54(27-12-19-35-84)94-67(109)49(7)88/h46-62,65H,9-45,81-88H2,1-8H3,(H2,89,108)(H,90,111)(H,91,112)(H,92,122)(H,93,106)(H,94,109)(H,95,110)(H,96,115)(H,97,120)(H,98,114)(H,99,118)(H,100,116)(H,101,121)(H,102,117)(H,103,113)(H,104,119)/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-/m0/s1

InChIKey

GQWNAVAYONBMAB-NAUCRMODSA-N

Compound name

(6S,9R,14R,17S,20S,23S,26S,29S,32S,35S)-9-[[(2S)-6-amino-2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]hexanoyl]amino]-6,17,29-tris(4-aminobutyl)-20-methyl-26,32-bis(2-methylpropyl)-2,5,8,16,19,22,25,28,31,34-decaoxo-23-propan-2-yl-11,12-dithia-1,4,7,15,18,21,24,27,30,33-decazabicyclo[33.3.0]octatriacontane-14-carboxamide

Related CIDs

• CID 71597734