(2s)-2-[[(2s)-2-[[(2s,3s)-2-[[(2s,3r)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s,3r)-2-amino-3-hydroxybutanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid

Structural Information

Molecular Formula

C₇₇H₁₁₂N₁₄O₁₄

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C77H112N14O14/c1-15-43(11)64(74(101)87-58(31-41(7)8)69(96)88-62(77(104)105)32-42(9)10)90-76(103)66(46(14)93)91-75(102)65(44(12)16-2)89-72(99)61(35-49-38-81-55-28-22-19-25-52(49)55)85-70(97)59(33-47-36-79-53-26-20-17-23-50(47)53)84-68(95)57(30-40(5)6)82-67(94)56(29-39(3)4)83-71(98)60(86-73(100)63(78)45(13)92)34-48-37-80-54-27-21-18-24-51(48)54/h17-28,36-46,56-66,79-81,92-93H,15-16,29-35,78H2,1-14H3,(H,82,94)(H,83,98)(H,84,95)(H,85,97)(H,86,100)(H,87,101)(H,88,96)(H,89,99)(H,90,103)(H,91,102)(H,104,105)/t43-,44-,45+,46+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1

InChIKey

MMOFPRIGTJTJGB-RUPPQYPVSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 49768271