Polistes mastoparan

Structural Information

Molecular Formula

C₇₇H₁₂₇N₂₁O₁₈

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C77H127N21O18/c1-13-43(11)63(97-68(107)50(24-18-20-28-79)88-66(105)49(23-17-19-27-78)89-70(109)54(31-45-34-84-48-22-16-15-21-47(45)48)91-71(110)56(33-60(102)103)93-74(113)61(81)41(7)8)75(114)85-36-59(101)87-51(25-26-58(80)100)67(106)92-55(32-46-35-83-38-86-46)72(111)98-64(44(12)14-2)77(116)94-53(30-40(5)6)69(108)95-57(37-99)73(112)96-62(42(9)10)76(115)90-52(65(82)104)29-39(3)4/h15-16,21-22,34-35,38-44,49-57,61-64,84,99H,13-14,17-20,23-33,36-37,78-79,81H2,1-12H3,(H2,80,100)(H2,82,104)(H,83,86)(H,85,114)(H,87,101)(H,88,105)(H,89,109)(H,90,115)(H,91,110)(H,92,106)(H,93,113)(H,94,116)(H,95,108)(H,96,112)(H,97,107)(H,98,111)(H,102,103)/t43-,44-,49-,50-,51-,52-,53-,54-,55-,56-,57-,61-,62-,63-,64-/m0/s1

InChIKey

XKUYSBUJKLFGFG-XVGFDQGISA-N

Compound name

(3S)-4-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[2-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16132143