Alm201

Structural Information

Molecular Formula

C₁₁₀H₁₇₉N₃₁O₄₀

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC(=O)O)C(=O)N5CCC[C@H]5C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)O)N

InChI

InChI=1S/C110H179N31O40/c1-12-53(8)82(113)99(171)125-58(21-14-38-119-110(116)117)87(159)121-59(27-32-75(111)146)89(161)127-63(28-33-76(112)147)103(175)137-39-16-23-71(137)96(168)124-57(20-13-37-118-109(114)115)88(160)130-66(46-80(154)155)105(177)141-43-19-26-74(141)107(179)140-42-18-25-73(140)98(170)136-85(56(11)145)101(173)126-62(31-36-79(152)153)92(164)135-84(55(10)144)102(174)129-65(45-51(4)5)94(166)122-60(29-34-77(148)149)90(162)128-64(44-50(2)3)93(165)123-61(30-35-78(150)151)91(163)134-83(52(6)7)100(172)132-68(48-142)106(178)139-41-17-24-72(139)97(169)131-67(47-81(156)157)104(176)138-40-15-22-70(138)95(167)120-54(9)86(158)133-69(49-143)108(180)181/h50-74,82-85,142-145H,12-49,113H2,1-11H3,(H2,111,146)(H2,112,147)(H,120,167)(H,121,159)(H,122,166)(H,123,165)(H,124,168)(H,125,171)(H,126,173)(H,127,161)(H,128,162)(H,129,174)(H,130,160)(H,131,169)(H,132,172)(H,133,158)(H,134,163)(H,135,164)(H,136,170)(H,148,149)(H,150,151)(H,152,153)(H,154,155)(H,156,157)(H,180,181)(H4,114,115,118)(H4,116,117,119)/t53-,54-,55+,56+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,82-,83-,84-,85-/m0/s1

InChIKey

WELPKBYIJNCUBV-PSAZGCNZSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-3-carboxy-1-[(2S)-2-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 172866231