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

Structural Information

Molecular Formula

C₇₂H₁₁₄N₂₆O₂₄

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](CO)NC(=O)[C@H](CO)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/C72H114N26O24/c1-34(2)21-41(74)58(109)83-29-52(103)87-42(16-11-19-81-71(75)76)59(110)90-45(22-38-13-7-6-8-14-38)63(114)88-43(15-9-10-18-73)60(111)91-47(24-40-28-80-33-85-40)65(116)98-56(37(5)102)69(120)93-48(25-53(104)105)62(113)86-35(3)57(108)95-50(30-99)67(118)96-51(31-100)66(117)89-44(17-12-20-82-72(77)78)61(112)97-55(36(4)101)68(119)92-46(23-39-27-79-32-84-39)64(115)94-49(70(121)122)26-54(106)107/h6-8,13-14,27-28,32-37,41-51,55-56,99-102H,9-12,15-26,29-31,73-74H2,1-5H3,(H,79,84)(H,80,85)(H,83,109)(H,86,113)(H,87,103)(H,88,114)(H,89,117)(H,90,110)(H,91,111)(H,92,119)(H,93,120)(H,94,115)(H,95,108)(H,96,118)(H,97,112)(H,98,116)(H,104,105)(H,106,107)(H,121,122)(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

DFGHMHGUQFBWRD-BUNJXRKPSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-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-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]butanedioic acid

Related CIDs

• CID 16130698