(2s)-2-amino-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

C₇₆H₁₂₉N₂₃O₁₈

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)N

InChI

InChI=1S/C76H129N23O18/c1-13-40(9)60(63(82)105)98-70(112)49(23-19-31-85-76(83)84)89-64(106)42(11)88-67(109)50(25-28-56(80)102)91-71(113)52(32-37(3)4)94-69(111)51(26-29-57(81)103)90-68(110)48(22-17-18-30-77)92-74(116)61(41(10)14-2)96-58(104)36-87-66(108)54(34-44-35-86-47-21-16-15-20-45(44)47)95-73(115)59(39(7)8)97-75(117)62(43(12)100)99-72(114)53(33-38(5)6)93-65(107)46(78)24-27-55(79)101/h15-16,20-21,35,37-43,46,48-54,59-62,86,100H,13-14,17-19,22-34,36,77-78H2,1-12H3,(H2,79,101)(H2,80,102)(H2,81,103)(H2,82,105)(H,87,108)(H,88,109)(H,89,106)(H,90,110)(H,91,113)(H,92,116)(H,93,107)(H,94,111)(H,95,115)(H,96,104)(H,97,117)(H,98,112)(H,99,114)(H4,83,84,85)/t40-,41-,42-,43+,46-,48-,49-,50-,51-,52-,53-,54-,59-,60-,61-,62-/m0/s1

InChIKey

GYFYVANZAMNLBM-AIAGOYQLSA-N

Compound name

(2S)-2-amino-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 25081077