Nh2-met-trp-ala-thr-glu-leu-ile-leu-ile-ser-asp-ser-asp-glu-val-asp-ser-ile-gln-met-cooh

Structural Information

Molecular Formula

C₉₉H₁₅₈N₂₂O₃₆S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C99H158N22O36S2/c1-17-47(10)76(95(152)105-56(24-27-69(101)126)82(139)107-59(99(156)157)31-33-159-16)120-93(150)68(43-124)115-88(145)65(39-74(135)136)113-94(151)75(46(8)9)117-84(141)58(26-29-71(129)130)104-86(143)63(37-72(131)132)110-91(148)66(41-122)114-87(144)64(38-73(133)134)111-92(149)67(42-123)116-97(154)78(49(12)19-3)119-90(147)61(35-45(6)7)112-96(153)77(48(11)18-2)118-89(146)60(34-44(4)5)109-83(140)57(25-28-70(127)128)106-98(155)79(51(14)125)121-80(137)50(13)103-85(142)62(108-81(138)54(100)30-32-158-15)36-52-40-102-55-23-21-20-22-53(52)55/h20-23,40,44-51,54,56-68,75-79,102,122-125H,17-19,24-39,41-43,100H2,1-16H3,(H2,101,126)(H,103,142)(H,104,143)(H,105,152)(H,106,155)(H,107,139)(H,108,138)(H,109,140)(H,110,148)(H,111,149)(H,112,153)(H,113,151)(H,114,144)(H,115,145)(H,116,154)(H,117,141)(H,118,146)(H,119,147)(H,120,150)(H,121,137)(H,127,128)(H,129,130)(H,131,132)(H,133,134)(H,135,136)(H,156,157)/t47-,48-,49-,50-,51+,54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,75-,76-,77-,78-,79-/m0/s1

InChIKey

CGDDWRKLDOKQPP-GDDHBLSJSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-5-amino-1-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16197770