Kvkftarrwgrqmk

Structural Information

Molecular Formula

C₈₀H₁₃₄N₂₈O₁₇S

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)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)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)N)O

InChI

InChI=1S/C80H134N28O17S/c1-44(2)63(107-66(113)50(84)23-11-14-33-81)75(122)103-53(25-12-15-34-82)70(117)105-59(40-47-20-7-6-8-21-47)74(121)108-64(46(4)109)76(123)97-45(3)65(112)99-54(28-18-37-93-79(88)89)69(116)100-55(29-19-38-94-80(90)91)71(118)106-60(41-48-42-95-51-24-10-9-22-49(48)51)67(114)96-43-62(111)98-52(27-17-36-92-78(86)87)68(115)101-56(30-31-61(85)110)72(119)102-57(32-39-126-5)73(120)104-58(77(124)125)26-13-16-35-83/h6-10,20-22,24,42,44-46,50,52-60,63-64,95,109H,11-19,23,25-41,43,81-84H2,1-5H3,(H2,85,110)(H,96,114)(H,97,123)(H,98,111)(H,99,112)(H,100,116)(H,101,115)(H,102,119)(H,103,122)(H,104,120)(H,105,117)(H,106,118)(H,107,113)(H,108,121)(H,124,125)(H4,86,87,92)(H4,88,89,93)(H4,90,91,94)/t45-,46+,50-,52-,53-,54-,55-,56-,57-,58-,59-,60-,63-,64-/m0/s1

InChIKey

ZDWVZIZCTKCTTA-BMIDNQRRSA-N

Compound name

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

Related CIDs

• CID 71596475