Nh2-gln95-glu-thr-ala-tyr-phe-leu-leu-lys-leu-ala-gly-arg-trp-pro109-conh2

Structural Information

Molecular Formula

C₈₆H₁₃₀N₂₂O₂₀

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N5CCC[C@H]5C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)N)O

InChI

InChI=1S/C86H130N22O20/c1-45(2)37-61(79(122)96-48(7)73(116)95-44-69(112)98-58(24-17-35-93-86(91)92)76(119)106-66(85(128)108-36-18-25-67(108)72(90)115)42-53-43-94-57-22-14-13-21-55(53)57)102-77(120)59(23-15-16-34-87)100-80(123)62(38-46(3)4)103-81(124)63(39-47(5)6)104-83(126)65(40-51-19-11-10-12-20-51)105-82(125)64(41-52-26-28-54(110)29-27-52)101-74(117)49(8)97-84(127)71(50(9)109)107-78(121)60(31-33-70(113)114)99-75(118)56(88)30-32-68(89)111/h10-14,19-22,26-29,43,45-50,56,58-67,71,94,109-110H,15-18,23-25,30-42,44,87-88H2,1-9H3,(H2,89,111)(H2,90,115)(H,95,116)(H,96,122)(H,97,127)(H,98,112)(H,99,118)(H,100,123)(H,101,117)(H,102,120)(H,103,124)(H,104,126)(H,105,125)(H,106,119)(H,107,121)(H,113,114)(H4,91,92,93)/t48-,49-,50+,56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,71-/m0/s1

InChIKey

CEMFEUFMKALURG-ZDSVFQOUSA-N

Compound name

(4S)-5-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-5-carbamimidamido-1-[[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16131659