(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-[[(2s)-2-[[(2s)-2-[[(2s,3s)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]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

C₉₄H₁₅₅N₂₃O₂₅S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)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/C94H155N23O25S2/c1-16-52(11)75(112-68(121)40-97)91(138)108-64(39-58-30-22-19-23-31-58)85(132)109-65(45-118)87(134)117-78(56(15)120)93(140)115-73(50(7)8)89(136)107-63(38-57-28-20-18-21-29-57)84(131)106-60(33-25-27-35-96)82(129)102-54(13)79(126)98-41-69(122)103-59(32-24-26-34-95)80(127)99-44-72(125)113-76(53(12)17-2)92(139)114-74(51(9)10)90(137)110-66(46-143)81(128)100-42-70(123)105-62(37-49(5)6)86(133)116-77(55(14)119)88(135)101-43-71(124)104-61(36-48(3)4)83(130)111-67(47-144)94(141)142/h18-23,28-31,48-56,59-67,73-78,118-120,143-144H,16-17,24-27,32-47,95-97H2,1-15H3,(H,98,126)(H,99,127)(H,100,128)(H,101,135)(H,102,129)(H,103,122)(H,104,124)(H,105,123)(H,106,131)(H,107,136)(H,108,138)(H,109,132)(H,110,137)(H,111,130)(H,112,121)(H,113,125)(H,114,139)(H,115,140)(H,116,133)(H,117,134)(H,141,142)/t52-,53-,54-,55+,56+,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-,75-,76-,77-,78-/m0/s1

InChIKey

XFZWXTOTLRZOHQ-AKMKUZPXSA-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-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]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 71592158