Nh2-arg-lys-ser-ile-arg-ile-gln-arg-gly-pro-gly-arg-ala-phe-tyr-cooh

Structural Information

Molecular Formula

C₈₀H₁₃₃N₂₉O₁₉

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C80H133N29O19/c1-6-43(3)62(107-70(121)53(24-16-36-95-80(90)91)102-74(125)63(44(4)7-2)108-72(123)57(42-110)106-68(119)52(21-11-12-32-81)100-65(116)49(82)20-13-33-92-77(84)85)75(126)103-54(30-31-59(83)112)69(120)101-50(22-14-34-93-78(86)87)66(117)97-41-61(114)109-37-17-25-58(109)73(124)96-40-60(113)99-51(23-15-35-94-79(88)89)67(118)98-45(5)64(115)104-55(38-46-18-9-8-10-19-46)71(122)105-56(76(127)128)39-47-26-28-48(111)29-27-47/h8-10,18-19,26-29,43-45,49-58,62-63,110-111H,6-7,11-17,20-25,30-42,81-82H2,1-5H3,(H2,83,112)(H,96,124)(H,97,117)(H,98,118)(H,99,113)(H,100,116)(H,101,120)(H,102,125)(H,103,126)(H,104,115)(H,105,122)(H,106,119)(H,107,121)(H,108,123)(H,127,128)(H4,84,85,92)(H4,86,87,93)(H4,88,89,94)(H4,90,91,95)/t43-,44-,45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,62-,63-/m0/s1

InChIKey

AELFXIHZAGPHSQ-VVNMKXBFSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Related CIDs

• CID 16186594