Ac-ravgigalfl gflgaagstm gaasm-nh2

Structural Information

Molecular Formula

C₁₀₅H₁₇₁N₂₉O₂₉S₂

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C

InChI

InChI=1S/C105H171N29O29S2/c1-21-56(10)84(132-82(144)49-114-102(161)83(55(8)9)133-92(151)62(16)121-96(155)68(122-64(18)138)33-28-36-109-105(107)108)103(162)115-46-79(141)118-60(14)90(149)127-72(41-54(6)7)97(156)130-74(43-66-31-26-23-27-32-66)99(158)129-71(40-53(4)5)95(154)113-48-80(142)123-73(42-65-29-24-22-25-30-65)98(157)128-70(39-52(2)3)94(153)112-45-78(140)116-58(12)88(147)119-57(11)87(146)110-47-81(143)124-75(50-135)101(160)134-85(63(17)137)104(163)126-69(35-38-165-20)93(152)111-44-77(139)117-59(13)89(148)120-61(15)91(150)131-76(51-136)100(159)125-67(86(106)145)34-37-164-19/h22-27,29-32,52-63,67-76,83-85,135-137H,21,28,33-51H2,1-20H3,(H2,106,145)(H,110,146)(H,111,152)(H,112,153)(H,113,154)(H,114,161)(H,115,162)(H,116,140)(H,117,139)(H,118,141)(H,119,147)(H,120,148)(H,121,155)(H,122,138)(H,123,142)(H,124,143)(H,125,159)(H,126,163)(H,127,149)(H,128,157)(H,129,158)(H,130,156)(H,131,150)(H,132,144)(H,133,151)(H,134,160)(H4,107,108,109)/t56-,57-,58-,59-,60-,61-,62-,63+,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,83-,84-,85-/m0/s1

InChIKey

JTJZYHXRTZDZPD-JGSKGYLVSA-N

Compound name

(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methylpentanamide

Related CIDs

• CID 16204876