Iriqrgpgrafvtigk

Structural Information

Molecular Formula

C₇₆H₁₃₁N₂₇O₁₉

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCN=C(N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCN=C(N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCN=C(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)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)N

InChI

InChI=1S/C76H131N27O19/c1-11-39(6)56(79)68(116)96-48(28-32-88-76(84)85)65(113)100-59(41(8)13-3)71(119)97-45(24-25-52(78)105)64(112)95-46(26-30-86-74(80)81)62(110)91-37-55(108)103-33-19-23-51(103)67(115)89-35-53(106)93-47(27-31-87-75(82)83)63(111)92-42(9)61(109)98-50(34-44-20-15-14-16-21-44)66(114)99-57(38(4)5)70(118)102-60(43(10)104)72(120)101-58(40(7)12-2)69(117)90-36-54(107)94-49(73(121)122)22-17-18-29-77/h14-16,20-21,38-43,45-51,56-60,104H,11-13,17-19,22-37,77,79H2,1-10H3,(H2,78,105)(H,89,115)(H,90,117)(H,91,110)(H,92,111)(H,93,106)(H,94,107)(H,95,112)(H,96,116)(H,97,119)(H,98,109)(H,99,114)(H,100,113)(H,101,120)(H,102,118)(H,121,122)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t39-,40-,41-,42-,43+,45-,46-,47-,48-,49-,50-,51-,56-,57-,58-,59-,60-/m0/s1

InChIKey

BVUCBIHGPDEVQW-SIXDTIMTSA-N

Compound name

(2S)-6-amino-2-[[2-[[(2S,3S)-2-[[(2S,3R)-2-[[(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-amino-3-methylpentanoyl]amino]-4-(diaminomethylideneamino)butanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-(diaminomethylideneamino)butanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-(diaminomethylideneamino)butanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoic acid

Related CIDs

• CID 25084598