Pgaa

Structural Information

Molecular Formula

C₉₁H₁₆₆N₂₈O₂₁

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C=O)NC(=O)CN

InChI

InChI=1S/C91H166N28O21/c1-15-53(8)74(119-72(122)44-98)91(140)117-69(42-52(6)7)89(138)118-71(48-121)90(139)113-66(33-21-27-39-97)86(135)115-67(40-50(2)3)80(129)100-46-73(123)108-61(28-16-22-34-92)82(131)106-59(14)79(128)114-68(41-51(4)5)88(137)112-65(32-20-26-38-96)84(133)111-63(30-18-24-36-94)83(132)105-55(10)75(124)103-58(13)78(127)110-64(31-19-25-37-95)85(134)116-70(43-60-45-99-49-101-60)87(136)107-56(11)76(125)104-57(12)77(126)109-62(29-17-23-35-93)81(130)102-54(9)47-120/h45,47,49-59,61-71,74,121H,15-44,46,48,92-98H2,1-14H3,(H,99,101)(H,100,129)(H,102,130)(H,103,124)(H,104,125)(H,105,132)(H,106,131)(H,107,136)(H,108,123)(H,109,126)(H,110,127)(H,111,133)(H,112,137)(H,113,139)(H,114,128)(H,115,135)(H,116,134)(H,117,140)(H,118,138)(H,119,122)/t53-,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,74-/m0/s1

InChIKey

BLDYBZVFPUYYFJ-YXJLROMNSA-N

Compound name

(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]hexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]hexanamide

Related CIDs

• CID 16130517