Dahlein 5.6

Structural Information

Molecular Formula

C₁₀₄H₁₇₃N₂₅O₂₆

SMILES

C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)CNC(=O)CNC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CN

InChI

InChI=1S/C104H173N25O26/c1-57(2)45-73(122-100(150)80(56-130)127-89(139)64(14)114-95(145)75(47-59(5)6)124-97(147)74(46-58(3)4)116-82(132)52-109)90(140)112-55-85(135)115-68(29-18-22-40-105)94(144)128-87(62(11)12)102(152)126-78(50-65-27-16-15-17-28-65)91(141)111-53-83(133)110-54-84(134)117-79(51-66-34-36-67(131)37-35-66)99(149)125-76(48-60(7)8)96(146)113-63(13)88(138)118-70(38-39-86(136)137)93(143)119-69(30-19-23-41-106)92(142)123-77(49-61(9)10)98(148)120-71(31-20-24-42-107)103(153)129-44-26-33-81(129)101(151)121-72(104(154)155)32-21-25-43-108/h15-17,27-28,34-37,57-64,68-81,87,130-131H,18-26,29-33,38-56,105-109H2,1-14H3,(H,110,133)(H,111,141)(H,112,140)(H,113,146)(H,114,145)(H,115,135)(H,116,132)(H,117,134)(H,118,138)(H,119,143)(H,120,148)(H,121,151)(H,122,150)(H,123,142)(H,124,147)(H,125,149)(H,126,152)(H,127,139)(H,128,144)(H,136,137)(H,154,155)/t63-,64-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,87-/m0/s1

InChIKey

MCFGLCDDMNVATJ-WSCFDGCXSA-N

Compound name

(2S)-6-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid

Related CIDs

• CID 16134131