Ac-aavallpavllallap-yvad-cho

Structural Information

Molecular Formula

C₉₇H₁₆₀N₂₀O₂₄

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](CC3=CC=C(C=C3)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)C

InChI

InChI=1S/C97H160N20O24/c1-46(2)37-66(85(129)100-57(21)81(125)106-68(39-48(5)6)87(131)109-67(38-47(3)4)86(130)104-61(25)96(140)116-35-27-30-74(116)92(136)110-71(43-63-31-33-65(120)34-32-63)90(134)115-77(53(15)16)94(138)102-56(20)80(124)105-64(45-118)44-75(121)122)108-88(132)70(41-50(9)10)111-95(139)78(54(17)18)114-84(128)60(24)101-91(135)73-29-28-36-117(73)97(141)72(42-51(11)12)112-89(133)69(40-49(7)8)107-82(126)58(22)103-93(137)76(52(13)14)113-83(127)59(23)99-79(123)55(19)98-62(26)119/h31-34,45-61,64,66-74,76-78,120H,27-30,35-44H2,1-26H3,(H,98,119)(H,99,123)(H,100,129)(H,101,135)(H,102,138)(H,103,137)(H,104,130)(H,105,124)(H,106,125)(H,107,126)(H,108,132)(H,109,131)(H,110,136)(H,111,139)(H,112,133)(H,113,127)(H,114,128)(H,115,134)(H,121,122)/t55-,56-,57-,58-,59-,60-,61-,64-,66-,67-,68-,69-,70-,71-,72-,73-,74-,76-,77-,78-/m0/s1

InChIKey

WSBGHVHLQNLTDM-SUZIIZBGSA-N

Compound name

(3S)-3-[[(2S)-2-[[(2S)-2-[[(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-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16207693