Antidimerin

Structural Information

Molecular Formula

C₅₈H₁₀₀N₁₆O₂₃S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N

InChI

InChI=1S/C58H100N16O23S2/c1-12-25(4)42(55(93)67-34(58(96)97)18-20-99-11)72-57(95)44(30(9)78)73-47(85)28(7)63-52(90)36(22-75)70-51(89)35(21-39(61)80)68-56(94)43(29(8)77)74-54(92)41(24(2)3)71-50(88)31(13-15-38(60)79)66-53(91)37(23-76)69-49(87)33(17-19-98-10)65-46(84)27(6)62-48(86)32(14-16-40(81)82)64-45(83)26(5)59/h24-37,41-44,75-78H,12-23,59H2,1-11H3,(H2,60,79)(H2,61,80)(H,62,86)(H,63,90)(H,64,83)(H,65,84)(H,66,91)(H,67,93)(H,68,94)(H,69,87)(H,70,89)(H,71,88)(H,72,95)(H,73,85)(H,74,92)(H,81,82)(H,96,97)/t25-,26-,27-,28-,29+,30+,31-,32-,33-,34-,35-,36-,37-,41-,42-,43-,44-/m0/s1

InChIKey

IFHMBPOPKCNBGJ-FUNVLBQBSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 5480944