Ac-neqelleldkwaslwnwf-nh2

Structural Information

Molecular Formula

C₁₁₂H₁₅₆N₂₆O₃₁

SMILES

C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)C

InChI

InChI=1S/C112H156N26O31/c1-55(2)40-77(131-104(161)78(41-56(3)4)129-100(157)74(33-37-92(146)147)125-98(155)72(31-35-88(114)141)124-99(156)73(32-36-91(144)145)127-109(166)84(48-89(115)142)122-60(10)140)103(160)126-75(34-38-93(148)149)101(158)130-79(42-57(5)6)106(163)137-86(50-94(150)151)111(168)123-71(30-20-21-39-113)97(154)133-81(45-62-51-118-68-27-17-14-24-65(62)68)102(159)121-59(9)96(153)138-87(54-139)112(169)132-80(43-58(7)8)105(162)134-83(47-64-53-120-70-29-19-16-26-67(64)70)108(165)136-85(49-90(116)143)110(167)135-82(46-63-52-119-69-28-18-15-25-66(63)69)107(164)128-76(95(117)152)44-61-22-12-11-13-23-61/h11-19,22-29,51-53,55-59,71-87,118-120,139H,20-21,30-50,54,113H2,1-10H3,(H2,114,141)(H2,115,142)(H2,116,143)(H2,117,152)(H,121,159)(H,122,140)(H,123,168)(H,124,156)(H,125,155)(H,126,160)(H,127,166)(H,128,164)(H,129,157)(H,130,158)(H,131,161)(H,132,169)(H,133,154)(H,134,162)(H,135,167)(H,136,165)(H,137,163)(H,138,153)(H,144,145)(H,146,147)(H,148,149)(H,150,151)/t59-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-/m0/s1

InChIKey

MGVJDVMBSRPJNA-IUXDROGQSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-amino-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16197276