(2s)-2-[[(2s)-6-amino-2-[[(2s,3s)-2-[[2-[[(2s)-2-[[(2s)-2-[[(2s,3r)-2-[[(2s)-2-[[(2s)-5-amino-2-[[(2s)-2-(2-aminotetradecanoylamino)-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-n-[(2s)-1-[[(2s)-5-amino-1-[[(2s)-1-[[(2s)-1-[[(2s,3s)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pentanediamide

Structural Information

Molecular Formula

C₉₆H₁₆₇N₂₅O₂₀

SMILES

CCCCCCCCCCCCC(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N)N

InChI

InChI=1S/C96H167N25O20/c1-16-19-20-21-22-23-24-25-26-27-34-62(98)83(129)114-69(46-52(4)5)90(136)112-68(40-43-75(101)125)88(134)116-71(48-54(8)9)92(138)121-80(59(15)122)95(141)119-77(55(10)11)93(139)117-72(49-60-50-106-63-35-29-28-33-61(60)63)84(130)107-51-76(126)118-79(57(13)18-3)94(140)113-64(36-30-31-44-97)86(132)110-67(39-42-74(100)124)87(133)115-70(47-53(6)7)91(137)111-66(38-41-73(99)123)85(131)108-58(14)82(128)109-65(37-32-45-105-96(103)104)89(135)120-78(81(102)127)56(12)17-2/h28-29,33,35,50,52-59,62,64-72,77-80,106,122H,16-27,30-32,34,36-49,51,97-98H2,1-15H3,(H2,99,123)(H2,100,124)(H2,101,125)(H2,102,127)(H,107,130)(H,108,131)(H,109,128)(H,110,132)(H,111,137)(H,112,136)(H,113,140)(H,114,129)(H,115,133)(H,116,134)(H,117,139)(H,118,126)(H,119,141)(H,120,135)(H,121,138)(H4,103,104,105)/t56-,57-,58-,59+,62?,64-,65-,66-,67-,68-,69-,70-,71-,72-,77-,78-,79-,80-/m0/s1

InChIKey

UIEDHLBURIDTTE-PFHSAHAMSA-N

Compound name

(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-(2-aminotetradecanoylamino)-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-N-[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pentanediamide

Related CIDs

• CID 25081083