L-tryptophan, 1-[(18s,21s,24s,27s,30s)-27-(2-amino-2-oxoethyl)-30-carboxy-21-[(1s)-1-hydroxyethyl]-18-(hydroxymethyl)-24-(2-methylpropyl)-1,16,19,22,25,28-hexaoxo-31-phenyl-17,20,23,26,29-pentaazahentriacont-1-yl]-l-prolyl-5-oxo-l-norleucyl-l-alloisoleucyl-l-allothreonyl-l-leucyl-

Structural Information

Molecular Formula

C₈₀H₁₂₃N₁₃O₂₀

SMILES

CCC(C)[C@@H](C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CCC(=O)C)NC(=O)[C@@H]3CCCN3C(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C80H123N13O20/c1-10-48(6)67(76(107)92-69(51(9)97)78(109)87-58(40-47(4)5)72(103)89-61(80(112)113)42-53-44-82-55-32-27-26-31-54(53)55)90-70(101)56(37-36-49(7)95)84-75(106)63-33-28-38-93(63)66(100)35-25-20-18-16-14-12-11-13-15-17-19-24-34-65(99)83-62(45-94)74(105)91-68(50(8)96)77(108)86-57(39-46(2)3)71(102)85-59(43-64(81)98)73(104)88-60(79(110)111)41-52-29-22-21-23-30-52/h21-23,26-27,29-32,44,46-48,50-51,56-63,67-69,82,94,96-97H,10-20,24-25,28,33-43,45H2,1-9H3,(H2,81,98)(H,83,99)(H,84,106)(H,85,102)(H,86,108)(H,87,109)(H,88,104)(H,89,103)(H,90,101)(H,91,105)(H,92,107)(H,110,111)(H,112,113)/t48?,50?,51?,56-,57-,58-,59-,60-,61-,62-,63-,67-,68-,69-/m0/s1

InChIKey

NOTHSSLJORBACB-LUWXSTRWSA-N

Compound name

(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[16-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-16-oxohexadecanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 487418