(2s)-2-[[(2s)-4-amino-2-[[(2s)-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]-4-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid

Structural Information

Molecular Formula

C₆₂H₉₅N₉O₁₃

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](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/C62H95N9O13/c1-8-40(6)54(59(79)71-55(41(7)72)60(80)67-47(33-39(4)5)57(77)69-50(62(83)84)35-43-37-64-45-29-25-24-28-44(43)45)70-53(75)31-23-18-16-14-12-10-9-11-13-15-17-22-30-52(74)65-46(32-38(2)3)56(76)66-48(36-51(63)73)58(78)68-49(61(81)82)34-42-26-20-19-21-27-42/h19-21,24-29,37-41,46-50,54-55,64,72H,8-18,22-23,30-36H2,1-7H3,(H2,63,73)(H,65,74)(H,66,76)(H,67,80)(H,68,78)(H,69,77)(H,70,75)(H,71,79)(H,81,82)(H,83,84)/t40?,41?,46-,47-,48-,49-,50-,54-,55-/m0/s1

InChIKey

RMTJDBXGAPKKRA-DFKYVIIJSA-N

Compound name

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

Related CIDs

• CID 487419