(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-amino-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

C₈₂H₁₄₀N₂₄O₁₉

SMILES

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

InChI

InChI=1S/C82H140N24O19/c1-15-44(11)65(68(88)112)105-76(120)53(25-21-33-91-82(89)90)95-69(113)46(13)94-72(116)54(26-29-60(85)108)98-77(121)57(35-41(5)6)100-75(119)56(28-31-62(87)110)97-73(117)52(24-19-20-32-83)99-80(124)66(45(12)16-2)103-63(111)39-93-71(115)59(37-48-38-92-51-23-18-17-22-49(48)51)102-79(123)64(43(9)10)104-81(125)67(47(14)107)106-78(122)58(36-42(7)8)101-74(118)55(27-30-61(86)109)96-70(114)50(84)34-40(3)4/h17-18,22-23,38,40-47,50,52-59,64-67,92,107H,15-16,19-21,24-37,39,83-84H2,1-14H3,(H2,85,108)(H2,86,109)(H2,87,110)(H2,88,112)(H,93,115)(H,94,116)(H,95,113)(H,96,114)(H,97,117)(H,98,121)(H,99,124)(H,100,119)(H,101,118)(H,102,123)(H,103,111)(H,104,125)(H,105,120)(H,106,122)(H4,89,90,91)/t44-,45-,46-,47+,50-,52-,53-,54-,55-,56-,57-,58-,59-,64-,65-,66-,67-/m0/s1

InChIKey

AKXTVMJCOJSZGC-ZZODAKKWSA-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-amino-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 25081076