13-l-lysineapamin

Structural Information

Molecular Formula

C₇₉H₁₃₁N₂₉O₂₄S₄

SMILES

C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)N)C(=O)N1)CC(C)C)C)[C@@H](C)O)CCC(=O)O)C)CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC4=CN=CN4)C(=O)N)CCCNC(=N)N)CCCCN

InChI

InChI=1S/C79H131N29O24S4/c1-36(2)27-50-71(125)105-52-32-134-133-31-42(82)64(118)103-51(29-58(85)112)72(126)106-54(74(128)97-43(13-7-9-23-80)65(119)94-39(5)78(132)108-26-12-16-55(108)76(130)100-48(19-22-59(113)114)70(124)107-60(40(6)109)77(131)93-38(4)63(117)102-50)34-136-135-33-53(104-67(121)45(15-11-25-90-79(87)88)96-66(120)44(14-8-10-24-81)95-62(116)37(3)92-73(52)127)75(129)99-46(17-20-56(83)110)68(122)98-47(18-21-57(84)111)69(123)101-49(61(86)115)28-41-30-89-35-91-41/h30,35-40,42-55,60,109H,7-29,31-34,80-82H2,1-6H3,(H2,83,110)(H2,84,111)(H2,85,112)(H2,86,115)(H,89,91)(H,92,127)(H,93,131)(H,94,119)(H,95,116)(H,96,120)(H,97,128)(H,98,122)(H,99,129)(H,100,130)(H,101,123)(H,102,117)(H,103,118)(H,104,121)(H,105,125)(H,106,126)(H,107,124)(H,113,114)(H4,87,88,90)/t37-,38-,39-,40+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,60-/m0/s1

InChIKey

SLLLLUAPOVOZLC-UBCFVMOJSA-N

Compound name

3-[(1R,4S,7S,13S,16S,19S,22S,25S,28R,31S,34S,37S,40R,47S,50R)-50-amino-40-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]-4,34-bis(4-aminobutyl)-47-(2-amino-2-oxoethyl)-37-(3-carbamimidamidopropyl)-19-[(1R)-1-hydroxyethyl]-7,22,31-trimethyl-25-(2-methylpropyl)-2,5,8,14,17,20,23,26,29,32,35,38,46,49-tetradecaoxo-42,43,52,53-tetrathia-3,6,9,15,18,21,24,27,30,33,36,39,45,48-tetradecazatricyclo[26.16.10.09,13]tetrapentacontan-16-yl]propanoic acid

Related CIDs

• CID 90684466