Tat 36-50 (46)

Structural Information

Molecular Formula

C₇₄H₁₂₂N₂₀O₁₉S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)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/C74H122N20O19S/c1-11-40(6)58(70(109)84-42(8)62(101)89-52(34-46-25-27-47(97)28-26-46)64(103)81-35-55(98)85-48(24-19-31-80-74(78)79)66(105)87-50(73(112)113)23-16-18-30-76)92-56(99)36-82-63(102)51(32-38(2)3)88-61(100)41(7)83-65(104)49(22-15-17-29-75)86-71(110)59(43(9)95)94-72(111)60(44(10)96)93-67(106)53(33-45-20-13-12-14-21-45)90-68(107)54(37-114)91-69(108)57(77)39(4)5/h12-14,20-21,25-28,38-44,48-54,57-60,95-97,114H,11,15-19,22-24,29-37,75-77H2,1-10H3,(H,81,103)(H,82,102)(H,83,104)(H,84,109)(H,85,98)(H,86,110)(H,87,105)(H,88,100)(H,89,101)(H,90,107)(H,91,108)(H,92,99)(H,93,106)(H,94,111)(H,112,113)(H4,78,79,80)/t40-,41-,42-,43+,44+,48-,49-,50-,51-,52-,53-,54-,57-,58-,59-,60-/m0/s1

InChIKey

GKVVNTNOHOEHGC-NSQWOFOBSA-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]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid

Related CIDs

• CID 25081087