(2r)-2-[[(2s)-2-[[2-[[(2s,3r)-2-[[(2s)-2-[[2-[[(2r)-2-[[(2s)-2-[[(2s,3s)-2-[[2-[[(2s)-6-amino-2-[[2-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-2-[[(2s,3r)-2-[[2-[[(2s)-2-[[(2s,3s)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-sulfanylpropanoic acid

Structural Information

Molecular Formula

C₉₀H₁₅₅N₂₃O₂₄S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)O)NC(=O)CN

InChI

InChI=1S/C90H155N23O24S2/c1-18-50(13)72(108-64(116)37-93)87(133)104-58(33-45(3)4)78(124)96-42-69(121)110-75(54(17)115)89(135)112-70(48(9)10)85(131)105-61(36-55-27-21-20-22-28-55)82(128)103-57(30-24-26-32-92)80(126)99-52(15)76(122)94-38-65(117)100-56(29-23-25-31-91)77(123)95-41-68(120)109-73(51(14)19-2)88(134)111-71(49(11)12)86(132)106-62(43-138)79(125)97-39-66(118)102-60(35-47(7)8)83(129)113-74(53(16)114)84(130)98-40-67(119)101-59(34-46(5)6)81(127)107-63(44-139)90(136)137/h20-22,27-28,45-54,56-63,70-75,114-115,138-139H,18-19,23-26,29-44,91-93H2,1-17H3,(H,94,122)(H,95,123)(H,96,124)(H,97,125)(H,98,130)(H,99,126)(H,100,117)(H,101,119)(H,102,118)(H,103,128)(H,104,133)(H,105,131)(H,106,132)(H,107,127)(H,108,116)(H,109,120)(H,110,121)(H,111,134)(H,112,135)(H,113,129)(H,136,137)/t50-,51-,52-,53+,54+,56-,57-,58-,59-,60-,61-,62-,63-,70-,71-,72-,73-,74-,75-/m0/s1

InChIKey

QELGXBHVFBYPEU-BXTFFYAOSA-N

Compound name

(2R)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-sulfanylpropanoic acid

Related CIDs

• CID 71592159