Ac-cys-phe-ala-tyr-ile-ala-arg-pro-leu-pro-arg-ala-his-ile-lys-nh2

Structural Information

Molecular Formula

C₈₄H₁₃₃N₂₅O₁₇S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CS)NC(=O)C

InChI

InChI=1S/C84H133N25O17S/c1-11-46(5)66(106-74(118)60(40-53-29-31-55(111)32-30-53)102-70(114)49(8)96-73(117)59(39-52-22-14-13-15-23-52)104-76(120)63(43-127)98-51(10)110)79(123)97-50(9)69(113)101-58(26-19-35-93-84(89)90)81(125)108-36-20-28-65(108)78(122)105-62(38-45(3)4)82(126)109-37-21-27-64(109)77(121)100-57(25-18-34-92-83(87)88)72(116)95-48(7)71(115)103-61(41-54-42-91-44-94-54)75(119)107-67(47(6)12-2)80(124)99-56(68(86)112)24-16-17-33-85/h13-15,22-23,29-32,42,44-50,56-67,111,127H,11-12,16-21,24-28,33-41,43,85H2,1-10H3,(H2,86,112)(H,91,94)(H,95,116)(H,96,117)(H,97,123)(H,98,110)(H,99,124)(H,100,121)(H,101,113)(H,102,114)(H,103,115)(H,104,120)(H,105,122)(H,106,118)(H,107,119)(H4,87,88,92)(H4,89,90,93)/t46-,47-,48-,49-,50-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1

InChIKey

ZQYUYDLIIBEVAT-ISECBDBESA-N

Compound name

(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]-N-[(2S)-1-[(2S)-2-[[(2S)-5-carbamimidamido-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

Related CIDs

• CID 16130717