(2s)-2-[[(2s)-4-amino-2-[[(2s)-2-[[(2s)-3-hydroxy-2-[[16-[[(1s)-1-[[(1s)-2-hydroxy-1-[[(1s)-1-[[(1s)-2-hydroxy-1-(1h-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]propyl]carbamoyl]-2-methyl-butyl]amino]-16-oxo-hexadecanoyl]amino]butanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid

Structural Information

Molecular Formula

C₆₆H₁₀₂N₁₀O₁₅

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)CCCCCCCCCCCCCCC(=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](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C66H102N10O15/c1-9-41(6)56(62(85)76-58(43(8)78)64(87)71-49(34-40(4)5)60(83)73-52(66(90)91)36-45-38-68-47-30-26-25-29-46(45)47)74-54(80)31-23-18-16-14-12-10-11-13-15-17-19-24-32-55(81)75-57(42(7)77)63(86)70-48(33-39(2)3)59(82)69-50(37-53(67)79)61(84)72-51(65(88)89)35-44-27-21-20-22-28-44/h20-22,25-30,38-43,48-52,56-58,68,77-78H,9-19,23-24,31-37H2,1-8H3,(H2,67,79)(H,69,82)(H,70,86)(H,71,87)(H,72,84)(H,73,83)(H,74,80)(H,75,81)(H,76,85)(H,88,89)(H,90,91)/t41?,42?,43?,48-,49-,50-,51-,52-,56-,57-,58-/m0/s1

InChIKey

QUUXJRCXDFMMAN-NFZMSWCHSA-N

Compound name

(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[16-[[(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]-16-oxohexadecanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 487420