Trksiriqrgpgrafv

Structural Information

Molecular Formula

C₇₆H₁₃₂N₃₀O₂₀

SMILES

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

InChI

InChI=1S/C76H132N30O20/c1-9-38(5)57(104-65(118)48(26-31-91-76(86)87)100-71(124)58(39(6)10-2)105-67(120)50(36-107)102-62(115)43(19-14-15-27-77)96-64(117)47(25-30-90-75(84)85)98-69(122)55(79)41(8)108)70(123)99-44(21-22-52(78)109)63(116)97-45(23-28-88-73(80)81)60(113)93-35-54(111)106-32-16-20-51(106)68(121)92-34-53(110)95-46(24-29-89-74(82)83)61(114)94-40(7)59(112)101-49(33-42-17-12-11-13-18-42)66(119)103-56(37(3)4)72(125)126/h11-13,17-18,37-41,43-51,55-58,107-108H,9-10,14-16,19-36,77,79H2,1-8H3,(H2,78,109)(H,92,121)(H,93,113)(H,94,114)(H,95,110)(H,96,117)(H,97,116)(H,98,122)(H,99,123)(H,100,124)(H,101,112)(H,102,115)(H,103,119)(H,104,118)(H,105,120)(H,125,126)(H4,80,81,88)(H4,82,83,89)(H4,84,85,90)(H4,86,87,91)/t38-,39-,40-,41+,43-,44-,45-,46-,47-,48-,49-,50-,51-,55-,56-,57-,58-/m0/s1

InChIKey

MPOCZZGFTJCESN-LCLICABOSA-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-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-carbamimidamidobutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-4-carbamimidamidobutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-carbamimidamidobutanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-carbamimidamidobutanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoic acid

Related CIDs

• CID 16186423