851626-94-3

Structural Information

Molecular Formula

C₇₄H₁₃₈N₂₂O₁₉

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C74H138N22O19/c1-15-43(13)59(71(112)94-56(40(7)8)68(109)89-49(32-38(3)4)65(106)90-50(36-97)63(104)83-33-53(100)86-48(73(114)115)26-19-22-30-77)95-64(105)47(27-23-31-81-74(79)80)85-52(99)35-84-67(108)55(39(5)6)92-72(113)60(44(14)16-2)96-70(111)58(42(11)12)93-69(110)57(41(9)10)91-66(107)51(37-98)87-54(101)34-82-62(103)46(25-18-21-29-76)88-61(102)45(78)24-17-20-28-75/h38-51,55-60,97-98H,15-37,75-78H2,1-14H3,(H,82,103)(H,83,104)(H,84,108)(H,85,99)(H,86,100)(H,87,101)(H,88,102)(H,89,109)(H,90,106)(H,91,107)(H,92,113)(H,93,110)(H,94,112)(H,95,105)(H,96,111)(H,114,115)(H4,79,80,81)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,55-,56-,57-,58-,59-,60-/m0/s1

InChIKey

WKLOSPXKCBSSKQ-BESPSLJESA-N

Compound name

(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]hexanoic acid

Related CIDs

• CID 16072920