Ac-mveqmhedii slwdqslkpc-nh2

Structural Information

Molecular Formula

C₁₀₆H₁₆₇N₂₇O₃₃S₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)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)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CS)C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCSC)NC(=O)C

InChI

InChI=1S/C106H167N27O33S3/c1-14-54(9)85(132-105(165)86(55(10)15-2)131-99(159)73(44-83(145)146)125-90(150)63(27-31-80(139)140)117-97(157)71(42-58-46-111-50-113-58)124-92(152)66(34-38-169-13)118-88(148)61(25-29-78(108)137)115-89(149)64(28-32-81(141)142)119-103(163)84(53(7)8)130-93(153)65(33-37-168-12)114-56(11)136)104(164)128-75(48-135)101(161)122-69(40-52(5)6)95(155)123-70(41-57-45-112-60-22-17-16-21-59(57)60)96(156)126-72(43-82(143)144)98(158)116-62(26-30-79(109)138)91(151)127-74(47-134)100(160)121-68(39-51(3)4)94(154)120-67(23-18-19-35-107)106(166)133-36-20-24-77(133)102(162)129-76(49-167)87(110)147/h16-17,21-22,45-46,50-55,61-77,84-86,112,134-135,167H,14-15,18-20,23-44,47-49,107H2,1-13H3,(H2,108,137)(H2,109,138)(H2,110,147)(H,111,113)(H,114,136)(H,115,149)(H,116,158)(H,117,157)(H,118,148)(H,119,163)(H,120,154)(H,121,160)(H,122,161)(H,123,155)(H,124,152)(H,125,150)(H,126,156)(H,127,151)(H,128,164)(H,129,162)(H,130,153)(H,131,159)(H,132,165)(H,139,140)(H,141,142)(H,143,144)(H,145,146)/t54-,55-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,84-,85-,86-/m0/s1

InChIKey

CYYVIRSOYABVMF-MBSGNCSFSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methylsulfanylbutanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[(2S)-2-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-carboxy-1-oxopropan-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]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16204862