Kkvkftarrgwgrqmkk

Structural Information

Molecular Formula

C₉₄H₁₆₁N₃₃O₂₀S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N)O

InChI

InChI=1S/C94H161N33O20S/c1-53(2)75(126-87(142)65(31-14-19-42-98)118-78(133)59(100)27-11-16-39-95)89(144)123-64(30-13-18-41-97)84(139)125-70(48-56-24-7-6-8-25-56)88(143)127-76(55(4)128)90(145)114-54(3)77(132)117-66(35-23-46-110-94(106)107)82(137)119-61(33-21-44-108-92(102)103)79(134)112-52-74(131)116-71(49-57-50-111-60-28-10-9-26-58(57)60)80(135)113-51-73(130)115-62(34-22-45-109-93(104)105)81(136)121-67(36-37-72(101)129)85(140)122-68(38-47-148-5)86(141)120-63(29-12-17-40-96)83(138)124-69(91(146)147)32-15-20-43-99/h6-10,24-26,28,50,53-55,59,61-71,75-76,111,128H,11-23,27,29-49,51-52,95-100H2,1-5H3,(H2,101,129)(H,112,134)(H,113,135)(H,114,145)(H,115,130)(H,116,131)(H,117,132)(H,118,133)(H,119,137)(H,120,141)(H,121,136)(H,122,140)(H,123,144)(H,124,138)(H,125,139)(H,126,142)(H,127,143)(H,146,147)(H4,102,103,108)(H4,104,105,109)(H4,106,107,110)/t54-,55+,59-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,75-,76-/m0/s1

InChIKey

ROEPIGMOFRQFCV-REKCOUIISA-N

Compound name

(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]hexanoic acid

Related CIDs

• CID 71596390