Nh2-pro-asp-ile-val-ile-tyr-gln-tyr-met-asp-asp-leu-tyr-val-gly-ser-asp-leu-glu-ile-cooh

Structural Information

Molecular Formula

C₁₀₈H₁₆₁N₂₁O₃₆S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]4CCCN4

InChI

InChI=1S/C108H161N21O36S/c1-16-55(12)87(128-105(161)86(54(10)11)126-107(163)88(56(13)17-2)127-102(158)76(48-84(144)145)120-90(146)64-20-19-38-110-64)106(162)124-71(43-59-23-29-62(132)30-24-59)97(153)113-65(33-35-78(109)134)91(147)118-70(42-58-21-27-61(131)28-22-58)96(152)115-67(37-39-166-15)92(148)121-73(45-81(138)139)100(156)122-74(46-82(140)141)98(154)117-69(41-52(6)7)95(151)119-72(44-60-25-31-63(133)32-26-60)101(157)125-85(53(8)9)104(160)111-49-79(135)112-77(50-130)103(159)123-75(47-83(142)143)99(155)116-68(40-51(4)5)94(150)114-66(34-36-80(136)137)93(149)129-89(108(164)165)57(14)18-3/h21-32,51-57,64-77,85-89,110,130-133H,16-20,33-50H2,1-15H3,(H2,109,134)(H,111,160)(H,112,135)(H,113,153)(H,114,150)(H,115,152)(H,116,155)(H,117,154)(H,118,147)(H,119,151)(H,120,146)(H,121,148)(H,122,156)(H,123,159)(H,124,162)(H,125,157)(H,126,163)(H,127,158)(H,128,161)(H,129,149)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H,144,145)(H,164,165)/t55-,56-,57-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,85-,86-,87-,88-,89-/m0/s1

InChIKey

VMYLLXVEHWMIJC-CDCYGCFYSA-N

Compound name

(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-3-carboxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 16133662