(2s)-2-acetamido-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]pentanediamide

Structural Information

Molecular Formula

C₇₈H₁₃₁N₂₃O₁₉

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

InChI

InChI=1S/C78H131N23O19/c1-14-41(9)62(65(83)108)100-72(115)50(24-20-32-86-78(84)85)91-66(109)43(11)89-68(111)52(26-29-58(81)105)93-73(116)54(33-38(3)4)95-71(114)53(27-30-59(82)106)92-69(112)49(23-18-19-31-79)94-76(119)63(42(10)15-2)98-60(107)37-88-67(110)56(35-46-36-87-48-22-17-16-21-47(46)48)97-75(118)61(40(7)8)99-77(120)64(44(12)102)101-74(117)55(34-39(5)6)96-70(113)51(90-45(13)103)25-28-57(80)104/h16-17,21-22,36,38-44,49-56,61-64,87,102H,14-15,18-20,23-35,37,79H2,1-13H3,(H2,80,104)(H2,81,105)(H2,82,106)(H2,83,108)(H,88,110)(H,89,111)(H,90,103)(H,91,109)(H,92,112)(H,93,116)(H,94,119)(H,95,114)(H,96,113)(H,97,118)(H,98,107)(H,99,120)(H,100,115)(H,101,117)(H4,84,85,86)/t41-,42-,43-,44+,49-,50-,51-,52-,53-,54-,55-,56-,61-,62-,63-,64-/m0/s1

InChIKey

KRYCYBUJQUDRHR-RRPLMDJTSA-N

Compound name

(2S)-2-acetamido-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]pentanediamide

Related CIDs

• CID 25081084