Tat 36-50

Structural Information

Molecular Formula

C₇₄H₁₂₂N₂₀O₂₀S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C74H122N20O20S/c1-10-40(6)58(70(110)90-53(36-95)67(107)88-51(33-45-24-26-46(98)27-25-45)63(103)81-34-55(99)84-47(23-18-30-80-74(78)79)65(105)86-49(73(113)114)22-15-17-29-76)92-56(100)35-82-62(102)50(31-38(2)3)87-61(101)41(7)83-64(104)48(21-14-16-28-75)85-71(111)59(42(8)96)94-72(112)60(43(9)97)93-66(106)52(32-44-19-12-11-13-20-44)89-68(108)54(37-115)91-69(109)57(77)39(4)5/h11-13,19-20,24-27,38-43,47-54,57-60,95-98,115H,10,14-18,21-23,28-37,75-77H2,1-9H3,(H,81,103)(H,82,102)(H,83,104)(H,84,99)(H,85,111)(H,86,105)(H,87,101)(H,88,107)(H,89,108)(H,90,110)(H,91,109)(H,92,100)(H,93,106)(H,94,112)(H,113,114)(H4,78,79,80)/t40-,41-,42+,43+,47-,48-,49-,50-,51-,52-,53-,54-,57-,58-,59-,60-/m0/s1

InChIKey

CPYUZMQZIYLDEE-JLNWLSINSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid

Related CIDs

• CID 25074419