Ac-aavallpavllallap-devd-cho

Structural Information

Molecular Formula

C₉₄H₁₅₈N₂₀O₂₇

SMILES

C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)C

InChI

InChI=1S/C94H158N20O27/c1-43(2)34-61(82(129)97-53(20)77(124)103-63(36-45(5)6)84(131)106-62(35-44(3)4)83(130)100-57(24)93(140)113-32-26-29-69(113)89(136)107-66(41-72(121)122)87(134)102-60(30-31-70(117)118)81(128)112-74(50(15)16)91(138)101-59(42-115)40-71(119)120)105-85(132)65(38-47(9)10)108-92(139)75(51(17)18)111-80(127)56(23)98-88(135)68-28-27-33-114(68)94(141)67(39-48(11)12)109-86(133)64(37-46(7)8)104-78(125)54(21)99-90(137)73(49(13)14)110-79(126)55(22)96-76(123)52(19)95-58(25)116/h42-57,59-69,73-75H,26-41H2,1-25H3,(H,95,116)(H,96,123)(H,97,129)(H,98,135)(H,99,137)(H,100,130)(H,101,138)(H,102,134)(H,103,124)(H,104,125)(H,105,132)(H,106,131)(H,107,136)(H,108,139)(H,109,133)(H,110,126)(H,111,127)(H,112,128)(H,117,118)(H,119,120)(H,121,122)/t52-,53-,54-,55-,56-,57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,73-,74-,75-/m0/s1

InChIKey

CGVSIUGHWXROOA-CMEOCGTASA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 131850887