(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-(hexanoylamino)-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

C₈₈H₁₅₀N₂₄O₂₀

SMILES

CCCCCC(=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

InChI

InChI=1S/C88H150N24O20/c1-16-19-20-30-68(117)100-61(39-45(4)5)82(127)104-60(33-36-67(92)116)80(125)107-63(41-47(8)9)84(129)112-73(52(15)113)87(132)110-70(48(10)11)85(130)108-64(42-53-43-97-55-27-22-21-26-54(53)55)76(121)98-44-69(118)109-72(50(13)18-3)86(131)105-56(28-23-24-37-89)78(123)102-59(32-35-66(91)115)79(124)106-62(40-46(6)7)83(128)103-58(31-34-65(90)114)77(122)99-51(14)75(120)101-57(29-25-38-96-88(94)95)81(126)111-71(74(93)119)49(12)17-2/h21-22,26-27,43,45-52,56-64,70-73,97,113H,16-20,23-25,28-42,44,89H2,1-15H3,(H2,90,114)(H2,91,115)(H2,92,116)(H2,93,119)(H,98,121)(H,99,122)(H,100,117)(H,101,120)(H,102,123)(H,103,128)(H,104,127)(H,105,131)(H,106,124)(H,107,125)(H,108,130)(H,109,118)(H,110,132)(H,111,126)(H,112,129)(H4,94,95,96)/t49-,50-,51-,52+,56-,57-,58-,59-,60-,61-,62-,63-,64-,70-,71-,72-,73-/m0/s1

InChIKey

KCJJPAKQILNOFP-MJLLABDHSA-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-(hexanoylamino)-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 25081078