Lwewimrqvrmvmsrlra

Structural Information

Molecular Formula

C₁₀₅H₁₇₃N₃₃O₂₃S₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C105H173N33O23S3/c1-15-57(10)83(138-96(155)77(49-60-51-121-65-27-19-17-25-62(60)65)134-89(148)71(33-35-80(141)142)127-95(154)76(132-84(143)63(106)46-53(2)3)48-59-50-120-64-26-18-16-24-61(59)64)100(159)131-72(36-43-162-12)90(149)123-67(29-21-40-117-103(110)111)86(145)126-70(32-34-79(107)140)92(151)136-81(55(6)7)98(157)129-69(31-23-42-119-105(114)115)87(146)128-74(38-45-164-14)93(152)137-82(56(8)9)99(158)130-73(37-44-163-13)91(150)135-78(52-139)97(156)125-68(30-22-41-118-104(112)113)88(147)133-75(47-54(4)5)94(153)124-66(28-20-39-116-102(108)109)85(144)122-58(11)101(160)161/h16-19,24-27,50-51,53-58,63,66-78,81-83,120-121,139H,15,20-23,28-49,52,106H2,1-14H3,(H2,107,140)(H,122,144)(H,123,149)(H,124,153)(H,125,156)(H,126,145)(H,127,154)(H,128,146)(H,129,157)(H,130,158)(H,131,159)(H,132,143)(H,133,147)(H,134,148)(H,135,150)(H,136,151)(H,137,152)(H,138,155)(H,141,142)(H,160,161)(H4,108,109,116)(H4,110,111,117)(H4,112,113,118)(H4,114,115,119)/t57-,58-,63-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,81-,82-,83-/m0/s1

InChIKey

ASKSDLRLUXEOOR-SUFRFZPQSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(1S)-1-carboxyethyl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 71597013