Nh2-leu-gly-arg-phe-lys-his-thr-asp-ala-cys-cys-arg-thr-his-asp-oh

Structural Information

Molecular Formula

C₇₂H₁₁₄N₂₆O₂₂S₂

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)N)O

InChI

InChI=1S/C72H114N26O22S2/c1-34(2)21-41(74)58(107)83-29-52(101)87-42(16-11-19-81-71(75)76)59(108)90-45(22-38-13-7-6-8-14-38)63(112)88-43(15-9-10-18-73)60(109)91-47(24-40-28-80-33-85-40)65(114)98-56(37(5)100)69(118)93-48(25-53(102)103)62(111)86-35(3)57(106)95-50(30-121)67(116)96-51(31-122)66(115)89-44(17-12-20-82-72(77)78)61(110)97-55(36(4)99)68(117)92-46(23-39-27-79-32-84-39)64(113)94-49(70(119)120)26-54(104)105/h6-8,13-14,27-28,32-37,41-51,55-56,99-100,121-122H,9-12,15-26,29-31,73-74H2,1-5H3,(H,79,84)(H,80,85)(H,83,107)(H,86,111)(H,87,101)(H,88,112)(H,89,115)(H,90,108)(H,91,109)(H,92,117)(H,93,118)(H,94,113)(H,95,106)(H,96,116)(H,97,110)(H,98,114)(H,102,103)(H,104,105)(H,119,120)(H4,75,76,81)(H4,77,78,82)/t35-,36+,37+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,55-,56-/m0/s1

InChIKey

LASLIIBGZDIQKT-BUNJXRKPSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]butanedioic acid

Related CIDs

• CID 16130689