(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-(hexanoylamino)pentanediamide

Structural Information

Molecular Formula

C₈₂H₁₃₉N₂₃O₁₉

SMILES

CCCCCC(=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/C82H139N23O19/c1-14-17-18-28-63(110)94-54(29-32-60(84)107)74(117)100-58(38-43(6)7)78(121)105-68(48(13)106)81(124)103-65(44(8)9)79(122)101-59(39-49-40-91-51-25-20-19-24-50(49)51)71(114)92-41-64(111)102-67(46(11)16-3)80(123)98-52(26-21-22-35-83)73(116)96-56(31-34-62(86)109)75(118)99-57(37-42(4)5)77(120)97-55(30-33-61(85)108)72(115)93-47(12)70(113)95-53(27-23-36-90-82(88)89)76(119)104-66(69(87)112)45(10)15-2/h19-20,24-25,40,42-48,52-59,65-68,91,106H,14-18,21-23,26-39,41,83H2,1-13H3,(H2,84,107)(H2,85,108)(H2,86,109)(H2,87,112)(H,92,114)(H,93,115)(H,94,110)(H,95,113)(H,96,116)(H,97,120)(H,98,123)(H,99,118)(H,100,117)(H,101,122)(H,102,111)(H,103,124)(H,104,119)(H,105,121)(H4,88,89,90)/t45-,46-,47-,48+,52-,53-,54-,55-,56-,57-,58-,59-,65-,66-,67-,68-/m0/s1

InChIKey

PCBWYPBPJBKDRY-XZFINTOFSA-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-(hexanoylamino)pentanediamide

Related CIDs

• CID 25081079