Llqltvwgikqlqaril

Structural Information

Molecular Formula

C₉₄H₁₆₁N₂₅O₂₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)O)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@H](CC(C)C)NC(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C94H161N25O22/c1-19-52(15)75(116-73(124)45-104-80(127)68(43-56-44-103-59-27-22-21-26-57(56)59)114-89(136)74(51(13)14)117-92(139)77(55(18)120)119-88(135)67(41-49(9)10)113-84(131)64(32-35-72(99)123)109-86(133)65(39-47(5)6)111-79(126)58(96)38-46(3)4)90(137)110-60(28-23-24-36-95)82(129)107-63(31-34-71(98)122)83(130)112-66(40-48(7)8)87(134)108-62(30-33-70(97)121)81(128)105-54(17)78(125)106-61(29-25-37-102-94(100)101)85(132)118-76(53(16)20-2)91(138)115-69(93(140)141)42-50(11)12/h21-22,26-27,44,46-55,58,60-69,74-77,103,120H,19-20,23-25,28-43,45,95-96H2,1-18H3,(H2,97,121)(H2,98,122)(H2,99,123)(H,104,127)(H,105,128)(H,106,125)(H,107,129)(H,108,134)(H,109,133)(H,110,137)(H,111,126)(H,112,130)(H,113,131)(H,114,136)(H,115,138)(H,116,124)(H,117,139)(H,118,132)(H,119,135)(H,140,141)(H4,100,101,102)/t52-,53-,54-,55+,58-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,74-,75-,76-,77-/m0/s1

InChIKey

PHGLSGFLNIOVFL-GBRBLNBESA-N

Compound name

(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 71598302