13-l-lysine-14-l-lysineapamin

Structural Information

Molecular Formula

C₇₉H₁₃₁N₂₇O₂₄S₄

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)CCCCN)CCCCN

InChI

InChI=1S/C79H131N27O24S4/c1-37(2)28-51-72(123)103-53-33-132-131-32-43(83)65(116)101-52(30-59(86)110)73(124)104-55(75(126)95-44(14-7-10-24-80)66(117)92-40(5)79(130)106-27-13-17-56(106)77(128)98-49(20-23-60(111)112)71(122)105-61(41(6)107)78(129)91-39(4)64(115)100-51)35-134-133-34-54(102-68(119)46(16-9-12-26-82)94-67(118)45(15-8-11-25-81)93-63(114)38(3)90-74(53)125)76(127)97-47(18-21-57(84)108)69(120)96-48(19-22-58(85)109)70(121)99-50(62(87)113)29-42-31-88-36-89-42/h31,36-41,43-56,61,107H,7-30,32-35,80-83H2,1-6H3,(H2,84,108)(H2,85,109)(H2,86,110)(H2,87,113)(H,88,89)(H,90,125)(H,91,129)(H,92,117)(H,93,114)(H,94,118)(H,95,126)(H,96,120)(H,97,127)(H,98,128)(H,99,121)(H,100,115)(H,101,116)(H,102,119)(H,103,123)(H,104,124)(H,105,122)(H,111,112)/t38-,39-,40-,41+,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,61-/m0/s1

InChIKey

NANQHTHWICOGAY-NXQZUYNJSA-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]-4,34,37-tris(4-aminobutyl)-47-(2-amino-2-oxoethyl)-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 90684471