(2s)-n-[(2s)-1-[[(2s,3r)-1-[[(2s)-1-[[(2s)-1-[[2-[[(2s,3s)-1-[[(2s)-6-amino-1-[[(2s)-5-amino-1-[[(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]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-(2-aminotetradecanoylamino)pentanediamide

Structural Information

Molecular Formula

C₉₀H₁₅₆N₂₄O₁₉

SMILES

CCCCCCCCCCCCC(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/C90H156N24O19/c1-14-17-18-19-20-21-22-23-24-25-32-58(92)78(122)104-63(37-40-69(94)117)82(126)109-66(45-50(6)7)86(130)114-75(55(13)115)89(133)112-72(51(8)9)87(131)110-67(46-56-47-100-59-33-27-26-31-57(56)59)79(123)101-48-71(119)111-74(53(11)16-3)88(132)107-60(34-28-29-42-91)81(125)105-64(38-41-70(95)118)83(127)108-65(44-49(4)5)85(129)106-62(36-39-68(93)116)80(124)102-54(12)77(121)103-61(35-30-43-99-90(97)98)84(128)113-73(76(96)120)52(10)15-2/h26-27,31,33,47,49-55,58,60-67,72-75,100,115H,14-25,28-30,32,34-46,48,91-92H2,1-13H3,(H2,93,116)(H2,94,117)(H2,95,118)(H2,96,120)(H,101,123)(H,102,124)(H,103,121)(H,104,122)(H,105,125)(H,106,129)(H,107,132)(H,108,127)(H,109,126)(H,110,131)(H,111,119)(H,112,133)(H,113,128)(H,114,130)(H4,97,98,99)/t52-,53-,54-,55+,58?,60-,61-,62-,63-,64-,65-,66-,67-,72-,73-,74-,75-/m0/s1

InChIKey

WETXHDFSHNFWKZ-XWTJEWTRSA-N

Compound name

(2S)-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(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]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-(2-aminotetradecanoylamino)pentanediamide

Related CIDs

• CID 25081082