Kkftarrgwgrqmk

Structural Information

Molecular Formula

C₇₇H₁₂₈N₂₈O₁₇S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N)O

InChI

InChI=1S/C77H128N28O17S/c1-43(95-73(120)62(44(2)106)105-72(119)57(38-45-18-5-4-6-19-45)104-69(116)52(23-10-13-32-79)99-64(111)48(81)21-9-12-31-78)63(110)98-53(27-17-36-91-77(87)88)68(115)100-50(25-15-34-89-75(83)84)65(112)93-42-61(109)97-58(39-46-40-92-49-22-8-7-20-47(46)49)66(113)94-41-60(108)96-51(26-16-35-90-76(85)86)67(114)101-54(28-29-59(82)107)70(117)102-55(30-37-123-3)71(118)103-56(74(121)122)24-11-14-33-80/h4-8,18-20,22,40,43-44,48,50-58,62,92,106H,9-17,21,23-39,41-42,78-81H2,1-3H3,(H2,82,107)(H,93,112)(H,94,113)(H,95,120)(H,96,108)(H,97,109)(H,98,110)(H,99,111)(H,100,115)(H,101,114)(H,102,117)(H,103,118)(H,104,116)(H,105,119)(H,121,122)(H4,83,84,89)(H4,85,86,90)(H4,87,88,91)/t43-,44+,48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1

InChIKey

MRLBNHGPKBZQBL-WSDPKDONSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoic acid

Related CIDs

• CID 71596473