Alloferon 1

Structural Information

Molecular Formula

C₅₂H₇₆N₂₂O₁₆

SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)NCC(=O)O)NC(=O)CNC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CC3=CN=CN3)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CC4=CN=CN4)N

InChI

InChI=1S/C52H76N22O16/c1-25(2)43(51(89)71-35(10-30-14-58-24-67-30)48(86)63-19-42(81)82)74-41(80)18-61-47(85)34(9-29-13-57-23-66-29)70-50(88)32(5-6-37(54)76)68-38(77)15-60-46(84)33(8-28-12-56-22-65-28)69-39(78)16-62-49(87)36(20-75)72-52(90)44(26(3)4)73-40(79)17-59-45(83)31(53)7-27-11-55-21-64-27/h11-14,21-26,31-36,43-44,75H,5-10,15-20,53H2,1-4H3,(H2,54,76)(H,55,64)(H,56,65)(H,57,66)(H,58,67)(H,59,83)(H,60,84)(H,61,85)(H,62,87)(H,63,86)(H,68,77)(H,69,78)(H,70,88)(H,71,89)(H,72,90)(H,73,79)(H,74,80)(H,81,82)/t31-,32-,33-,34-,35-,36-,43-,44-/m0/s1

InChIKey

XCAPMVINJNSTAF-WXPUDEETSA-N

Compound name

2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetic acid

Related CIDs

• CID 16200124